data_SAlOC-1@G9
_audit_creation_date               2024-07-28
_audit_creation_method
;
Olex2 1.3
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_shelx_SHELXL_version_number       '2018/3'
_audit_contact_author_address      ?
_audit_contact_author_email        ?
_audit_contact_author_name         ''
_audit_contact_author_phone        ?
_publ_contact_author_id_orcid      ?
_publ_section_references
;
Dolomanov, O.V., Bourhis, L.J., Gildea, R.J, Howard, J.A.K. & Puschmann, H.
 (2009), J. Appl. Cryst. 42, 339-341.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety          
 'C216 H362 Al32 N12 O110 Pb6 S12, 3(C12 H17 B O2)'
_chemical_formula_sum              'C252 H413 Al32 B3 N12 O116 Pb6 S12'
_chemical_formula_weight           7990.57
_chemical_melting_point            ?
_chemical_oxdiff_formula           'Al C N O Pb S B'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0150 0.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Al' 'Al' 0.1760 0.1840 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'B' 'B' 0.0070 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0250 0.0140 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0410 0.0250 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pb' 'Pb' -4.2650 7.1980
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'S' 'S' 0.2920 0.4240 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system        'tetragonal'
_space_group_IT_number             85
_space_group_name_H-M_alt          'P 4/n'
_space_group_name_Hall             '-P 4a'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y+1/2, z'
 '-y+1/2, x, z'
 'y, -x+1/2, z'
 '-x, -y, -z'
 'x-1/2, y-1/2, -z'
 'y-1/2, -x, -z'
 '-y, x-1/2, -z'

_cell_length_a                     30.3099(3)
_cell_length_b                     30.3099(3)
_cell_length_c                     19.6250(3)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       18029.3(5)
_cell_formula_units_Z              2
_cell_measurement_reflns_used      36083
_cell_measurement_temperature      100.00(10)
_cell_measurement_theta_max        59.8980
_cell_measurement_theta_min        1.9690
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      5.085
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    1.00000
_exptl_absorpt_correction_type     sphere
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.43.116a (Rigaku Oxford Diffraction, 2024)
Spherical absorption correction
using equivalent radius and absorption coefficient.
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              brown
_exptl_crystal_density_diffrn      1.472
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         sphere
_exptl_crystal_F_000               8104
_exptl_crystal_size_max            ?
_exptl_crystal_size_mid            ?
_exptl_crystal_size_min            ?
_exptl_crystal_size_rad            0.400
_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0668
_diffrn_reflns_av_unetI/netI       0.0514
_diffrn_reflns_Laue_measured_fraction_full  0.995
_diffrn_reflns_Laue_measured_fraction_max  0.970
_diffrn_reflns_limit_h_max         33
_diffrn_reflns_limit_h_min         -39
_diffrn_reflns_limit_k_max         35
_diffrn_reflns_limit_k_min         -39
_diffrn_reflns_limit_l_max         24
_diffrn_reflns_limit_l_min         -25
_diffrn_reflns_number              90394
_diffrn_reflns_point_group_measured_fraction_full  0.995
_diffrn_reflns_point_group_measured_fraction_max  0.970
_diffrn_reflns_theta_full          53.543
_diffrn_reflns_theta_max           60.200
_diffrn_reflns_theta_min           1.957
_diffrn_ambient_environment        N~2~
_diffrn_ambient_temperature        100.00(10)
_diffrn_detector                   'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_detector_type              HyPix
_diffrn_measured_fraction_theta_full  0.995
_diffrn_measured_fraction_theta_max  0.970
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω     95.00 120.00   0.50    0.40    --   74.82 105.00 174.00   50
  2  ω     83.00 137.00   0.50    0.40    --   74.82  83.00  86.00  108
  3  ω     37.00  66.00   0.50    0.06    --   -1.33  57.00 -60.00   58
  4  ω   -107.00 -65.00   0.50    0.40    --  -77.47  83.00  86.00   84
  5  ω    -54.00 -28.00   0.50    0.40    --  -77.47  44.00 -45.00   52
  6  ω    -21.00   4.00   0.50    0.06    --   -1.33  57.00 -60.00   50
  7  ω   -146.00 -88.00   0.50    0.40    --  -77.47 -99.00  90.00  116
  8  ω   -148.00-116.00   0.50    0.40    --  -77.47-125.00 120.00   64
  9  ω   -136.00 -89.00   0.50    0.40    --  -77.47 -99.00 -60.00   94
 10  ω   -149.00 -80.00   0.50    0.40    --  -77.47-125.00 -60.00  138
 11  ω      4.00  30.00   0.50    0.06    --   -1.33 -99.00-180.00   52
 12  ω     -8.00  33.00   0.50    0.06    --   -1.33 -99.00 120.00   82
 13  ω     78.00 106.00   0.50    0.40    --   74.66-105.00  74.00   56
 14  ω     -4.00  21.00   0.50    0.06    --   -1.41 -99.00  90.00   50
 15  ω    -22.00  71.00   0.50    0.06    --   -1.41  77.00-150.00  186
 16  ω      3.00  34.00   0.50    0.06    --   -1.41 -99.00  30.00   62
 17  ω     -4.00  23.00   0.50    0.06    --   -1.41 -99.00-150.00   54
 18  ω     25.00  28.50   0.50    0.40    --   74.66 -77.00 150.00    7
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0125549000
_diffrn_orient_matrix_UB_12        -0.0240372000
_diffrn_orient_matrix_UB_13        0.0538687000
_diffrn_orient_matrix_UB_21        -0.0205901000
_diffrn_orient_matrix_UB_22        0.0352550000
_diffrn_orient_matrix_UB_23        0.0261178000
_diffrn_orient_matrix_UB_31        -0.0370233000
_diffrn_orient_matrix_UB_32        -0.0114626000
_diffrn_orient_matrix_UB_33        -0.0327533000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Ga K\a'
_diffrn_radiation_wavelength       1.3405
_diffrn_source                     'micro-focus metaljet'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  14319
_reflns_number_total               19912
_reflns_odcompleteness_completeness  99.77
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       53.78
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression       'I > 2σ(I)'
_computing_cell_refinement         'CrysAlisPro 1.171.43.116a (Rigaku OD, 2024)'
_computing_data_collection        
 'CrysAlisPro system (CCD 43.116a 64-bit (release 22-03-2024))'
_computing_data_reduction          'CrysAlisPro 1.171.43.116a (Rigaku OD, 2024)'
_computing_molecular_graphics      'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement    'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution      'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max           4.257
_refine_diff_density_min           -1.447
_refine_diff_density_rms           0.138
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.067
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1004
_refine_ls_number_reflns           19912
_refine_ls_number_restraints       562
_refine_ls_R_factor_all            0.0898
_refine_ls_R_factor_gt             0.0664
_refine_ls_restrained_S_all        1.074
_refine_ls_shift/su_max            0.003
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.1233P)²+4.6347P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1831
_refine_ls_wR_factor_ref           0.1980
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, {H6,HS,HT} of C02V, All C(H,H) groups, All C(H,H,H,H)
  groups, All O(H) groups
 At 1.5 times of:
  {H27A,H27B,H27C} of C27, {H31A,H31B,H31C} of C31, {H1A,H1B,H1C} of C1,
  {H30A,H30B,H30C} of C30, {H01A,H01C,H01E} of C01K, {H01L,H01N,H01P} of C01W,
  {H02A,H02B,H02C} of C020, {H01G,H01H,H01K} of C01P, {H02F,H02G,H02H} of C024,
  {H7,H,HA} of C02C, {H02I,H02J,H02K} of C027, {H9,HD,HE} of C02E, {H02N,H02O,
  H02P} of C02A, {H8,HB,HC} of C02D, {H13,HO,HP} of C02S, {H26A,H26B,H26C} of
  C26, {H02U,H02V,H02W} of C02I, {H02Z,HF,HG} of C02K, {H5,HQ,HR} of C02U, {H2,
  HJ,HK} of C02N, {H4,HM,HN} of C02Q, {H20A,H20B,H20C} of C20
2. Restrained distances
 C31-C16
 1.5 with sigma of 0.02
3. Rigid bond restraints
 C012, C016, C019, C01B, C01D, C01G, C01I, C01K, C01O, C01M, C017, C01A, C01J,
 C01L, C01P, C01R, C01W, C01Y, C01U, C022, C029, C025, C026, C020, C021, C023,
 C01Q, C018, C01F, C01H, C01N, C024, C027, C028, C02A, C02B, C02C, C02D, C02E,
 C02F, C02G, C02H, C02I, C02J, C02K, C02L, C02M, C02N, C02O, C02Q, C02R, C02P,
 C22, C02T, C28, C02X, C02S, C02U, C02V, C23, C26, C16, C18, C20, C1, C27, C30,
 C31
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 B02W
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
4. Uiso/Uaniso restraints and constraints
C012 \\sim C016 \\sim C019 \\sim C01B \\sim C01D \\sim C01G \\sim C01I \\sim
C01K \\sim C01O \\sim C01M \\sim C017 \\sim C01A \\sim C01J \\sim C01L \\sim
C01P \\sim C01R \\sim C01W \\sim C01Y \\sim C01U \\sim C022 \\sim C029 \\sim
C025 \\sim C026 \\sim C020 \\sim C021 \\sim C023 \\sim C01Q \\sim C018 \\sim
C01F \\sim C01H \\sim C01N \\sim C024 \\sim C027 \\sim C028 \\sim C02A \\sim
C02B \\sim C02C \\sim C02D \\sim C02E \\sim C02F \\sim C02G \\sim C02H \\sim
C02I \\sim C02J \\sim C02K \\sim C02L \\sim C02M \\sim C02N \\sim C02O \\sim
C02Q \\sim C02R \\sim C02P \\sim C22 \\sim C02T \\sim C28 \\sim C02X \\sim C02S
\\sim C02U \\sim C02V \\sim C23 \\sim C26 \\sim C16 \\sim C18 \\sim C20 \\sim
C1 \\sim C27 \\sim C30 \\sim C31: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
B02W: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within
2A
Uanis(C02H) \\sim Ueq, Uanis(C18) \\sim Ueq, Uanis(C20) \\sim Ueq, Uanis(C02O)
\\sim Ueq, Uanis(C16) \\sim Ueq, Uanis(C31) \\sim Ueq, Uanis(C30) \\sim Ueq,
Uanis(C02R) \\sim Ueq, Uanis(C02X) \\sim Ueq, Uanis(C28) \\sim Ueq, Uanis(C02T)
\\sim Ueq, Uanis(C22) \\sim Ueq, Uanis(C02P) \\sim Ueq, Uanis(C02U) \\sim Ueq,
Uanis(C02L) \\sim Ueq, Uanis(C02M) \\sim Ueq, Uanis(C02B) \\sim Ueq, Uanis(C23)
\\sim Ueq, Uanis(C26) \\sim Ueq: with sigma of 0.01 and sigma for terminal
atoms of 0.02
Uanis(B02W) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.02
5. Others
 Fixed Sof: O01V(0.75) O01X(0.75) C02C(0.75) H7(0.75) H(0.75) HA(0.75)
 C02D(0.75) H8(0.75) HB(0.75) HC(0.75) C02E(0.75) H9(0.75) HD(0.75) HE(0.75)
 C02F(0.75) C02G(0.75) C02R(0.75) C02P(0.75) H10(0.75) C22(0.75) H22(0.75)
 C02T(0.75) H11(0.75) C28(0.75) H28(0.75) C02X(0.75) H12(0.75) C02S(0.75)
 H13(0.75) HO(0.75) HP(0.75) H6(0.5) HS(0.5) HT(0.5) B02W(0.75) H16C(0.5)
 H16D(0.5) H16A(0.5) H16B(0.5) C1(0.5) H1A(0.5) H1B(0.5) H1C(0.5) C27(0.5)
 H27A(0.5) H27B(0.5) H27C(0.5) C30(0.5) H30A(0.5) H30B(0.5) H30C(0.5) C31(0.5)
 H31A(0.5) H31B(0.5) H31C(0.5)
6.a Riding coordinates:
 O00M(H00M)
6.b Ternary CH refined with riding coordinates:
 C016(H016), C01B(H01B), C01D(H01D), C01I(H01I), C01R(H01R)
6.c Secondary CH2 refined with riding coordinates:
 C021(H02D,H02E), C028(H02L,H02M), C02B(H02Q,H02R), C02H(H02S,H02T), C02J(H02X,
 H02Y), C02L(H02,HH), C02M(H1,HI), C02O(H3,HL), C02V(H6,HS), C23(H23A,H23B),
 C16(H16C,H16D), C16(H16A,H16B), C18(H18A,H18B)
6.d Aromatic/amide H refined with riding coordinates:
 O00W(H00W), C01O(H01O), C01M(H01M), C01A(H01F), C01J(H01J), C01Y(H01Y),
 C022(H022), C029(H029), C026(H026), C023(H023), C01Q(H01Q), C01F(H01S),
 C01H(H01T), C02P(H10), C22(H22), C02T(H11), C28(H28), C02X(H12), C02V(HT)
6.e Fitted hexagon refined as free rotating group:
 C01O(C01M,C017,C01A,C01J,C01L), C01Y(C01U,C022,C029,C025,C026), C023(C01Q,
 C018,C01F,C01H,C01N), C02R(C02P,C22,C02T,C28,C02X)
6.f Idealised Me refined as rotating group:
 C01K(H01A,H01C,H01E), C01P(H01G,H01H,H01K), C01W(H01L,H01N,H01P), C020(H02A,
 H02B,H02C), C024(H02F,H02G,H02H), C027(H02I,H02J,H02K), C02A(H02N,H02O,H02P),
 C02C(H7,H,HA), C02D(H8,HB,HC), C02E(H9,HD,HE), C02I(H02U,H02V,H02W), C02K(H02Z,
 HF,HG), C02N(H2,HJ,HK), C02Q(H4,HM,HN), C02S(H13,HO,HP), C02U(H5,HQ,HR),
 C26(H26A,H26B,H26C), C20(H20A,H20B,H20C), C1(H1A,H1B,H1C), C27(H27A,H27B,H27C),
  C30(H30A,H30B,H30C), C31(H31A,H31B,H31C)
;
_atom_sites_solution_hydrogens     mixed
_atom_sites_solution_primary       dual
_atom_sites_solution_secondary     ?
loop_
  _atom_site_label
  _atom_site_type_symbol
  _atom_site_fract_x
  _atom_site_fract_y
  _atom_site_fract_z
  _atom_site_U_iso_or_equiv
  _atom_site_adp_type
  _atom_site_occupancy
  _atom_site_site_symmetry_order
  _atom_site_calc_flag
  _atom_site_refinement_flags_posn
  _atom_site_refinement_flags_adp
  _atom_site_refinement_flags_occupancy
  _atom_site_disorder_assembly
  _atom_site_disorder_group
 Pb01 Pb 0.97445(2) 0.69270(2) 0.37583(2) 0.05231(10) Uani 1 1 d . . . . .
 Pb02 Pb 0.750000 0.750000 0.01911(2) 0.05385(13) Uani 1 4 d S T P . .
 Pb03 Pb 0.750000 0.750000 0.75113(2) 0.05946(14) Uani 1 4 d S T P . .
 Al00 Al 0.81418(5) 0.73372(5) 0.15762(8) 0.0461(4) Uani 1 1 d . . . . .
 Al1 Al 0.87104(6) 0.65819(6) 0.38578(8) 0.0465(4) Uani 1 1 d . . . . .
 Al2 Al 0.77419(6) 0.59977(6) 0.38501(8) 0.0473(4) Uani 1 1 d . . . . .
 Al3 Al 0.71495(5) 0.60993(5) 0.27695(8) 0.0452(3) Uani 1 1 d . . . . .
 Al4 Al 0.81264(5) 0.64604(5) 0.24853(8) 0.0454(3) Uani 1 1 d . . . . .
 Al5 Al 0.72094(6) 0.63373(5) 0.52103(8) 0.0488(4) Uani 1 1 d . . . . .
 Al6 Al 0.78365(6) 0.69363(6) 0.61322(9) 0.0524(4) Uani 1 1 d . . . . .
 Al7 Al 0.62572(5) 0.67587(6) 0.49403(9) 0.0500(4) Uani 1 1 d . . . . .
 S00C S 0.93415(7) 0.43086(6) 0.04491(11) 0.0775(5) Uani 1 1 d . . . . .
 S00D S 0.36637(7) 0.58759(7) 0.59035(15) 0.0926(7) Uani 1 1 d . . . . .
 O0F O 0.90286(12) 0.71183(12) 0.37217(17) 0.0461(8) Uani 1 1 d . . . . .
 O0G O 0.73233(12) 0.67968(12) 0.57354(19) 0.0500(9) Uani 1 1 d . . . . .
 O0H O 0.85270(12) 0.67098(12) 0.29879(18) 0.0477(8) Uani 1 1 d . . . . .
 O0I O 0.78796(11) 0.68605(11) 0.19474(18) 0.0453(8) Uani 1 1 d . . . . .
 O0J O 0.83659(12) 0.60305(13) 0.1989(2) 0.0556(10) Uani 1 1 d . . . . .
 O0K O 0.750000 0.750000 0.6375(3) 0.0492(17) Uani 1 4 d S T P . .
 O0L O 0.76676(12) 0.62211(12) 0.47129(19) 0.0517(9) Uani 1 1 d . . . . .
 O00M O 0.86999(12) 0.71904(12) 0.18782(19) 0.0484(8) Uani 1 1 d . . . . .
 H00M H 0.885255 0.696954 0.162387 0.058 Uiso 1 1 d R U . . .
 O0N O 0.57447(13) 0.64936(13) 0.5233(2) 0.0546(9) Uani 1 1 d . . . . .
 O0O O 0.750000 0.750000 0.1347(3) 0.0463(17) Uani 1 4 d S T P . .
 O0P O 0.83209(12) 0.61289(12) 0.4012(2) 0.0486(8) Uani 1 1 d . . . . .
 O0Q O 0.70067(13) 0.55404(12) 0.2600(2) 0.0526(9) Uani 1 1 d . . . . .
 O0R O 0.82222(12) 0.73181(13) 0.06839(19) 0.0538(9) Uani 1 1 d . . . . .
 O00S O 0.67428(12) 0.64393(12) 0.47345(19) 0.0499(9) Uani 1 1 d . . . . .
 O00T O 0.77143(12) 0.62188(12) 0.29764(18) 0.0478(8) Uani 1 1 d . . . . .
 O00U O 0.88782(15) 0.63836(14) 0.1376(2) 0.0597(10) Uani 1 1 d . . . . .
 O00V O 0.92360(13) 0.63151(12) 0.38501(18) 0.0507(9) Uani 1 1 d . . . . .
 O00W O 0.81332(12) 0.64475(13) 0.5824(2) 0.0545(9) Uani 1 1 d . . . . .
 H00W H 0.824986 0.626291 0.617107 0.065 Uiso 1 1 calc R U . . .
 O00X O 0.77291(14) 0.54091(13) 0.3825(2) 0.0552(10) Uani 1 1 d . . . . .
 O00Y O 0.78835(14) 0.68648(13) 0.7022(2) 0.0593(10) Uani 1 1 d . . . . .
 O00Z O 0.71447(14) 0.58900(13) 0.5796(2) 0.0604(10) Uani 1 1 d . . . . .
 O010 O 0.70601(18) 0.53202(15) 0.5080(3) 0.0780(14) Uani 1 1 d . . . . .
 O011 O 0.97947(18) 0.43589(18) 0.0282(3) 0.0950(17) Uani 1 1 d . . . . .
 C012 C 0.8704(2) 0.6046(2) 0.1569(3) 0.0553(13) Uani 1 1 d . U . . .
 O013 O 0.9202(2) 0.39659(17) 0.0897(3) 0.0986(17) Uani 1 1 d . . . . .
 O014 O 0.57255(19) 0.6599(3) 0.6361(3) 0.103(2) Uani 1 1 d . . . . .
 O015 O 0.35715(18) 0.5625(2) 0.5301(3) 0.1016(18) Uani 1 1 d . . . . .
 C016 C 0.7008(2) 0.5285(2) 0.1991(4) 0.0663(17) Uani 1 1 d . U . . .
 H016 H 0.699438 0.549015 0.159251 0.080 Uiso 1 1 calc R U . . .
 C019 C 0.5553(2) 0.6478(2) 0.5822(3) 0.0645(15) Uani 1 1 d . U . . .
 C01B C 0.8076(2) 0.5099(2) 0.3935(4) 0.0747(18) Uani 1 1 d . U . . .
 H01B H 0.827776 0.523189 0.428149 0.090 Uiso 1 1 calc R U . . .
 N01C N 0.9070(2) 0.4253(2) -0.0246(4) 0.0881(19) Uani 1 1 d . . . . .
 C01D C 0.8636(2) 0.7284(3) 0.0321(3) 0.0694(17) Uani 1 1 d . U . . .
 H01D H 0.881340 0.703964 0.052595 0.083 Uiso 1 1 calc R U . . .
 O01E O 0.3581(2) 0.5680(2) 0.6550(4) 0.131(3) Uani 1 1 d . . . . .
 C01G C 0.7157(2) 0.5478(2) 0.5644(4) 0.0678(16) Uani 1 1 d . U . . .
 C01I C 0.9316(2) 0.5848(2) 0.3867(4) 0.0661(16) Uani 1 1 d . U . . .
 H01I H 0.903770 0.569128 0.399589 0.079 Uiso 1 1 calc R U . . .
 C01K C 0.8888(2) 0.7713(3) 0.0397(4) 0.082(2) Uani 1 1 d . U . . .
 H01A H 0.915185 0.770458 0.010742 0.123 Uiso 1 1 calc R U . . .
 H01C H 0.897671 0.775132 0.087331 0.123 Uiso 1 1 calc R U . . .
 H01E H 0.870004 0.795980 0.025793 0.123 Uiso 1 1 calc R U . . .
 C01O C 0.87825(15) 0.48262(11) 0.1200(3) 0.0788(19) Uani 1 1 d G U . . .
 H01O H 0.862156 0.456288 0.128479 0.095 Uiso 1 1 calc R U . . .
 C01M C 0.86305(13) 0.52264(14) 0.1454(2) 0.0745(17) Uani 1 1 d G U . . .
 H01M H 0.836569 0.523663 0.171229 0.089 Uiso 1 1 calc R U . . .
 C017 C 0.88660(14) 0.56116(11) 0.1330(2) 0.0601(14) Uani 1 1 d G U . . .
 C01A C 0.92534(14) 0.55966(12) 0.0951(3) 0.0721(16) Uani 1 1 d G U . . .
 H01F H 0.941433 0.585990 0.086645 0.087 Uiso 1 1 calc R U . . .
 C01J C 0.94054(13) 0.51964(14) 0.0697(3) 0.0780(18) Uani 1 1 d G U . . .
 H01J H 0.967021 0.518616 0.043894 0.094 Uiso 1 1 calc R U . . .
 C01L C 0.91700(16) 0.48112(11) 0.0822(3) 0.0752(17) Uani 1 1 d G U . . .
 C01P C 0.8534(3) 0.7170(3) -0.0413(4) 0.084(2) Uani 1 1 d . U . . .
 H01G H 0.835923 0.740671 -0.061842 0.126 Uiso 1 1 calc R U . . .
 H01H H 0.836701 0.689302 -0.043029 0.126 Uiso 1 1 calc R U . . .
 H01K H 0.881081 0.713488 -0.066612 0.126 Uiso 1 1 calc R U . . .
 C01R C 0.8168(3) 0.6591(3) 0.7392(4) 0.087(2) Uani 1 1 d . U . . .
 H01R H 0.815866 0.628957 0.718548 0.105 Uiso 1 1 calc R U . . .
 N01S N 0.7326(4) 0.4259(5) 0.8454(6) 0.164(5) Uani 1 1 d . . . . .
 N01T N 0.3390(2) 0.6324(3) 0.5853(7) 0.130(3) Uani 1 1 d . . . . .
 O01V O 0.5632(3) 0.5549(3) 0.7108(4) 0.097(2) Uani 0.75 1 d . . P . .
 C01W C 0.8341(3) 0.5030(4) 0.3316(5) 0.118(3) Uani 1 1 d . U . . .
 H01L H 0.849827 0.474882 0.334943 0.177 Uiso 1 1 calc R U . . .
 H01N H 0.855418 0.527126 0.326902 0.177 Uiso 1 1 calc R U . . .
 H01P H 0.814611 0.502544 0.291742 0.177 Uiso 1 1 calc R U . . .
 O01X O 0.6085(3) 0.5053(4) 0.7681(4) 0.123(3) Uani 0.75 1 d . . P . .
 C01Y C 0.7454(2) 0.53781(15) 0.6819(3) 0.091(2) Uani 1 1 d G U . . .
 H01Y H 0.744796 0.568924 0.687583 0.109 Uiso 1 1 calc R U . . .
 C01U C 0.7310(2) 0.51912(16) 0.6211(2) 0.0806(18) Uani 1 1 d G U . . .
 C022 C 0.7319(2) 0.47359(17) 0.6127(2) 0.100(2) Uani 1 1 d G U . . .
 H022 H 0.722073 0.460818 0.571211 0.120 Uiso 1 1 calc R U . . .
 C029 C 0.7471(2) 0.44675(14) 0.6651(3) 0.113(2) Uani 1 1 d G U . . .
 H029 H 0.747698 0.415627 0.659412 0.135 Uiso 1 1 calc R U . . .
 C025 C 0.7615(2) 0.4654(2) 0.7259(3) 0.113(3) Uani 1 1 d G U . . .
 C026 C 0.7606(2) 0.5110(2) 0.7343(2) 0.107(2) Uani 1 1 d G U . . .
 H026 H 0.770421 0.523732 0.775786 0.128 Uiso 1 1 calc R U . . .
 S01Z S 0.77861(13) 0.43338(18) 0.7966(2) 0.174(2) Uani 1 1 d . . . . .
 C020 C 0.7896(3) 0.4679(3) 0.4245(6) 0.108(3) Uani 1 1 d . U . . .
 H02A H 0.769341 0.453777 0.392274 0.162 Uiso 1 1 calc R U . . .
 H02B H 0.773809 0.474926 0.466672 0.162 Uiso 1 1 calc R U . . .
 H02C H 0.814044 0.447740 0.434653 0.162 Uiso 1 1 calc R U . . .
 C021 C 0.8617(4) 0.4069(4) -0.0240(7) 0.134(4) Uani 1 1 d . U . . .
 H02D H 0.854659 0.397813 0.023138 0.161 Uiso 1 1 calc R U . . .
 H02E H 0.840944 0.430810 -0.036554 0.161 Uiso 1 1 calc R U . . .
 C023 C 0.44223(14) 0.61926(18) 0.6462(2) 0.0849(19) Uani 1 1 d G U . . .
 H023 H 0.425967 0.621389 0.687470 0.102 Uiso 1 1 calc R U . . .
 C01Q C 0.48582(14) 0.63344(17) 0.64391(19) 0.0804(18) Uani 1 1 d G U . . .
 H01Q H 0.499343 0.645259 0.683579 0.096 Uiso 1 1 calc R U . . .
 C018 C 0.50961(10) 0.63032(16) 0.5836(2) 0.0625(14) Uani 1 1 d G U . . .
 C01F C 0.48983(13) 0.61303(15) 0.52551(18) 0.0655(15) Uani 1 1 d G U . . .
 H01S H 0.506089 0.610902 0.484262 0.079 Uiso 1 1 calc R U . . .
 C01H C 0.44624(13) 0.59885(15) 0.5278(2) 0.0709(16) Uani 1 1 d G U . . .
 H01T H 0.432713 0.587033 0.488151 0.085 Uiso 1 1 calc R U . . .
 C01N C 0.42244(11) 0.60197(16) 0.5882(2) 0.0740(17) Uani 1 1 d G U . . .
 C024 C 0.8005(3) 0.6557(3) 0.8134(4) 0.098(2) Uani 1 1 d . U . . .
 H02F H 0.820096 0.636187 0.839215 0.146 Uiso 1 1 calc R U . . .
 H02G H 0.770461 0.643719 0.813956 0.146 Uiso 1 1 calc R U . . .
 H02H H 0.800499 0.685109 0.834230 0.146 Uiso 1 1 calc R U . . .
 C027 C 0.8635(3) 0.6759(4) 0.7350(5) 0.110(3) Uani 1 1 d . U . . .
 H02I H 0.863609 0.708098 0.739335 0.165 Uiso 1 1 calc R U . . .
 H02J H 0.876340 0.667544 0.690961 0.165 Uiso 1 1 calc R U . . .
 H02K H 0.881076 0.662944 0.771866 0.165 Uiso 1 1 calc R U . . .
 C028 C 0.9192(4) 0.4538(3) -0.0820(5) 0.119(3) Uani 1 1 d . U . . .
 H02L H 0.892217 0.468372 -0.099349 0.143 Uiso 1 1 calc R U . . .
 H02M H 0.939122 0.477226 -0.064934 0.143 Uiso 1 1 calc R U . . .
 C02A C 0.6635(4) 0.4989(3) 0.1954(5) 0.121(3) Uani 1 1 d . U . . .
 H02N H 0.662397 0.485210 0.150243 0.181 Uiso 1 1 calc R U . . .
 H02O H 0.636214 0.515535 0.203354 0.181 Uiso 1 1 calc R U . . .
 H02P H 0.666485 0.475942 0.230273 0.181 Uiso 1 1 calc R U . . .
 C02B C 0.6996(6) 0.3979(6) 0.8191(9) 0.179(5) Uani 1 1 d . U . . .
 H02Q H 0.704883 0.392699 0.769969 0.215 Uiso 1 1 calc R U . . .
 H02R H 0.670355 0.411928 0.824329 0.215 Uiso 1 1 calc R U . . .
 C02C C 0.5396(4) 0.5096(4) 0.6188(5) 0.083(3) Uani 0.75 1 d . U P . .
 H7 H 0.531781 0.534662 0.589726 0.125 Uiso 0.75 1 calc R U P . .
 H H 0.514434 0.502023 0.647957 0.125 Uiso 0.75 1 calc R U P . .
 HA H 0.547204 0.484167 0.590271 0.125 Uiso 0.75 1 calc R U P . .
 C02D C 0.5571(4) 0.4528(4) 0.7322(6) 0.100(3) Uani 0.75 1 d . U P . .
 H8 H 0.531975 0.470583 0.747216 0.149 Uiso 0.75 1 calc R U P . .
 HB H 0.567654 0.434619 0.770192 0.149 Uiso 0.75 1 calc R U P . .
 HC H 0.547980 0.433594 0.694536 0.149 Uiso 0.75 1 calc R U P . .
 C02E C 0.6143(4) 0.5416(4) 0.6210(5) 0.090(3) Uani 0.75 1 d . U P . .
 H9 H 0.629756 0.518566 0.595402 0.134 Uiso 0.75 1 calc R U P . .
 HD H 0.635031 0.556132 0.652121 0.134 Uiso 0.75 1 calc R U P . .
 HE H 0.602240 0.563450 0.589214 0.134 Uiso 0.75 1 calc R U P . .
 C02F C 0.5928(4) 0.4820(4) 0.7091(6) 0.090(3) Uani 0.75 1 d . U P . .
 C02G C 0.5773(4) 0.5213(4) 0.6613(6) 0.086(2) Uani 0.75 1 d . U P . .
 C02H C 0.3414(5) 0.6562(6) 0.5163(10) 0.183(5) Uani 1 1 d . U . . .
 H02S H 0.368347 0.646921 0.491655 0.219 Uiso 1 1 calc R U . . .
 H02T H 0.343030 0.688458 0.523741 0.219 Uiso 1 1 calc R U . . .
 C02I C 0.9658(3) 0.5744(3) 0.4354(5) 0.110(3) Uani 1 1 d . U . . .
 H02U H 0.969179 0.542287 0.438421 0.165 Uiso 1 1 calc R U . . .
 H02V H 0.957682 0.586163 0.480160 0.165 Uiso 1 1 calc R U . . .
 H02W H 0.993676 0.587604 0.420542 0.165 Uiso 1 1 calc R U . . .
 C02J C 0.9403(5) 0.4321(4) -0.1372(6) 0.129(3) Uani 1 1 d . U . . .
 H02X H 0.919476 0.410712 -0.157734 0.155 Uiso 1 1 calc R U . . .
 H02Y H 0.965962 0.415353 -0.119745 0.155 Uiso 1 1 calc R U . . .
 C02K C 0.9445(4) 0.5723(3) 0.3126(5) 0.120(3) Uani 1 1 d . U . . .
 H02Z H 0.972317 0.586808 0.300533 0.180 Uiso 1 1 calc R U . . .
 HF H 0.921244 0.581992 0.281237 0.180 Uiso 1 1 calc R U . . .
 HG H 0.948045 0.540254 0.309181 0.180 Uiso 1 1 calc R U . . .
 C02L C 0.7137(6) 0.4567(6) 0.9575(9) 0.194(5) Uani 1 1 d . U . . .
 H02 H 0.693300 0.431486 0.963364 0.233 Uiso 1 1 calc R U . . .
 HH H 0.742439 0.449688 0.978872 0.233 Uiso 1 1 calc R U . . .
 C02M C 0.7187(7) 0.4688(7) 0.8857(9) 0.191(5) Uani 1 1 d . U . . .
 H1 H 0.741612 0.491898 0.880666 0.229 Uiso 1 1 calc R U . . .
 HI H 0.690540 0.480496 0.867577 0.229 Uiso 1 1 calc R U . . .
 C02N C 0.7432(4) 0.5039(4) 0.1961(6) 0.141(4) Uani 1 1 d . U . . .
 H2 H 0.742624 0.479671 0.229203 0.211 Uiso 1 1 calc R U . . .
 HJ H 0.767603 0.523883 0.206869 0.211 Uiso 1 1 calc R U . . .
 HK H 0.747327 0.491805 0.150173 0.211 Uiso 1 1 calc R U . . .
 C02O C 0.3366(5) 0.6607(5) 0.6426(9) 0.160(4) Uani 1 1 d . U . . .
 H3 H 0.354981 0.686982 0.632941 0.192 Uiso 1 1 calc R U . . .
 HL H 0.350150 0.645235 0.681723 0.192 Uiso 1 1 calc R U . . .
 C02Q C 0.9559(4) 0.4642(4) -0.1922(6) 0.142(4) Uani 1 1 d . U . . .
 H4 H 0.964130 0.447711 -0.233204 0.213 Uiso 1 1 calc R U . . .
 HM H 0.981564 0.480658 -0.175452 0.213 Uiso 1 1 calc R U . . .
 HN H 0.932078 0.484874 -0.203127 0.213 Uiso 1 1 calc R U . . .
 C02R C 0.5856(4) 0.5774(3) 0.8292(5) 0.125(3) Uani 0.75 1 d G U P . .
 C02P C 0.5607(3) 0.6159(4) 0.8282(5) 0.124(3) Uani 0.75 1 d G U P . .
 H10 H 0.545492 0.624271 0.787941 0.149 Uiso 0.75 1 calc R U P . .
 C22 C 0.5580(3) 0.6421(3) 0.8862(6) 0.135(4) Uani 0.75 1 d G U P . .
 H22 H 0.540946 0.668362 0.885565 0.162 Uiso 0.75 1 calc R U P . .
 C02T C 0.5802(4) 0.6298(4) 0.9452(5) 0.143(4) Uani 0.75 1 d G U P . .
 H11 H 0.578386 0.647675 0.984826 0.171 Uiso 0.75 1 calc R U P . .
 C28 C 0.6052(4) 0.5913(4) 0.9462(5) 0.147(4) Uani 0.75 1 d G U P . .
 H28 H 0.620370 0.582896 0.986463 0.177 Uiso 0.75 1 calc R U P . .
 C02X C 0.6079(3) 0.5651(3) 0.8882(6) 0.136(4) Uani 0.75 1 d G U P . .
 H12 H 0.624917 0.538804 0.888838 0.163 Uiso 0.75 1 calc R U P . .
 C02S C 0.6284(4) 0.4554(5) 0.6782(8) 0.120(4) Uani 0.75 1 d . U P . .
 H13 H 0.628240 0.425771 0.698260 0.180 Uiso 0.75 1 calc R U P . .
 HO H 0.656908 0.469509 0.687027 0.180 Uiso 0.75 1 calc R U P . .
 HP H 0.623593 0.453226 0.628977 0.180 Uiso 0.75 1 calc R U P . .
 C02U C 0.6951(6) 0.4973(7) 0.9840(10) 0.210(6) Uani 1 1 d . U . . .
 H5 H 0.669824 0.506119 0.956034 0.315 Uiso 1 1 calc R U . . .
 HQ H 0.717563 0.520628 0.982706 0.315 Uiso 1 1 calc R U . . .
 HR H 0.685502 0.492745 1.031112 0.315 Uiso 1 1 calc R U . . .
 C02V C 0.8539(5) 0.3702(5) -0.0682(9) 0.162(4) Uani 1 1 d . U . . .
 H6 H 0.879997 0.350565 -0.068423 0.194 Uiso 0.5 1 calc R U P A 1
 HS H 0.848939 0.380806 -0.115308 0.194 Uiso 0.5 1 calc R U P A 1
 HT H 0.828278 0.372034 -0.095964 0.194 Uiso 0.5 1 calc R U P B 2
 B02W B 0.5869(5) 0.5463(6) 0.7683(8) 0.098(4) Uani 0.75 1 d . U P . .
 C23 C 0.7004(6) 0.3513(6) 0.8596(9) 0.192(5) Uani 1 1 d . U . . .
 H23A H 0.696700 0.355123 0.909359 0.231 Uiso 1 1 calc R U . . .
 H23B H 0.727454 0.334039 0.850091 0.231 Uiso 1 1 calc R U . . .
 C26 C 0.6574(7) 0.3306(7) 0.8239(10) 0.233(7) Uani 1 1 d . U . . .
 H26A H 0.660698 0.331908 0.774239 0.349 Uiso 1 1 calc R U . . .
 H26B H 0.631224 0.347463 0.837487 0.349 Uiso 1 1 calc R U . . .
 H26C H 0.653947 0.299806 0.838136 0.349 Uiso 1 1 calc R U . . .
 O6 O 0.7892(4) 0.3924(4) 0.7696(5) 0.224(7) Uani 1 1 d . . . . .
 O8 O 0.8111(4) 0.4606(6) 0.8388(6) 0.256(8) Uani 1 1 d . . . . .
 C16 C 0.2914(5) 0.6767(6) 0.6645(9) 0.179(4) Uani 1 1 d D U . . .
 H16C H 0.275711 0.688743 0.624370 0.215 Uiso 0.5 1 calc R U P C 2
 H16D H 0.294980 0.700913 0.697904 0.215 Uiso 0.5 1 calc R U P C 2
 H16A H 0.276946 0.690766 0.624834 0.215 Uiso 0.5 1 calc R U P D 1
 H16B H 0.273465 0.650699 0.677323 0.215 Uiso 0.5 1 calc R U P D 1
 C18 C 0.2975(6) 0.6444(6) 0.4699(10) 0.192(5) Uani 1 1 d . U . . .
 H18A H 0.296304 0.612292 0.461131 0.230 Uiso 1 1 calc R U . . .
 H18B H 0.270430 0.652893 0.495042 0.230 Uiso 1 1 calc R U . . .
 C20 C 0.2994(7) 0.6679(7) 0.4064(11) 0.224(6) Uani 1 1 d . U . . .
 H20A H 0.315825 0.650405 0.372919 0.336 Uiso 1 1 calc R U . . .
 H20B H 0.314299 0.696273 0.413238 0.336 Uiso 1 1 calc R U . . .
 H20C H 0.269393 0.673114 0.389567 0.336 Uiso 1 1 calc R U . . .
 C1 C 0.8141(10) 0.3451(9) -0.0440(17) 0.176(8) Uani 0.5 1 d . U P E 1
 H1A H 0.814559 0.315257 -0.063355 0.264 Uiso 0.5 1 calc R U P E 1
 H1B H 0.787253 0.360348 -0.058738 0.264 Uiso 0.5 1 calc R U P E 1
 H1C H 0.814554 0.343196 0.005838 0.264 Uiso 0.5 1 calc R U P E 1
 C27 C 0.8773(10) 0.3348(9) -0.0751(18) 0.167(8) Uani 0.5 1 d . U P E 2
 H27A H 0.906499 0.339390 -0.054755 0.251 Uiso 0.5 1 calc R U P E 2
 H27B H 0.880676 0.327924 -0.123643 0.251 Uiso 0.5 1 calc R U P E 2
 H27C H 0.862583 0.310128 -0.052135 0.251 Uiso 0.5 1 calc R U P E 2
 C30 C 0.2622(11) 0.6386(11) 0.6978(18) 0.195(8) Uani 0.5 1 d . U P F 2
 H30A H 0.267609 0.637581 0.747015 0.292 Uiso 0.5 1 calc R U P F 2
 H30B H 0.270163 0.610146 0.677454 0.292 Uiso 0.5 1 calc R U P F 2
 H30C H 0.230908 0.644598 0.689401 0.292 Uiso 0.5 1 calc R U P F 2
 C31 C 0.2908(11) 0.7089(10) 0.7231(15) 0.189(8) Uani 0.5 1 d D U P F 1
 H31A H 0.267638 0.700455 0.755463 0.283 Uiso 0.5 1 calc R U P F 1
 H31B H 0.284756 0.738662 0.705778 0.283 Uiso 0.5 1 calc R U P F 1
 H31C H 0.319448 0.708629 0.746117 0.283 Uiso 0.5 1 calc R U P F 1


_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
  _geom_bond_atom_site_label_1
  _geom_bond_atom_site_label_2
  _geom_bond_distance
  _geom_bond_site_symmetry_2
  _geom_bond_publ_flag
 Pb01 O0F 2.247(4) . ?
 Pb01 O0Q 2.444(4) 3_655 ?
 Pb01 O00V 2.418(4) . ?
 Pb01 O00X 2.479(4) 3_655 ?
 Pb01 O010 2.632(5) 3_655 ?
 Pb02 O0O 2.269(7) 3_655 ?
 Pb02 O0O 2.269(7) 2_665 ?
 Pb02 O0O 2.269(7) . ?
 Pb02 O0O 2.269(7) 4_565 ?
 Pb02 O0R 2.456(4) 3_655 ?
 Pb02 O0R 2.456(4) 2_665 ?
 Pb02 O0R 2.456(4) 4_565 ?
 Pb02 O0R 2.456(4) . ?
 Pb03 O0K 2.231(7) . ?
 Pb03 O00Y 2.445(4) 3_655 ?
 Pb03 O00Y 2.445(4) 2_665 ?
 Pb03 O00Y 2.445(4) . ?
 Pb03 O00Y 2.445(4) 4_565 ?
 Al00 O0I 1.803(4) . ?
 Al00 O0I 1.798(4) 3_655 ?
 Al00 O00M 1.847(4) . ?
 Al00 O0O 2.057(2) 2_665 ?
 Al00 O0O 2.057(2) 3_655 ?
 Al00 O0O 2.057(2) 4_565 ?
 Al00 O0O 2.057(2) . ?
 Al00 O0R 1.769(4) . ?
 Al1 Al3 2.802(2) 3_655 ?
 Al1 Al7 2.739(2) 3_655 ?
 Al1 O0F 1.909(4) . ?
 Al1 O0H 1.837(4) . ?
 Al1 O0P 1.836(4) . ?
 Al1 O00S 1.845(4) 3_655 ?
 Al1 O00V 1.787(4) . ?
 Al2 Al7 2.736(2) 3_655 ?
 Al2 O0F 1.908(4) 4_565 ?
 Al2 O0L 1.837(4) . ?
 Al2 O0P 1.827(4) . ?
 Al2 O00T 1.843(4) . ?
 Al2 O00X 1.785(4) . ?
 Al3 O0F 1.911(4) 4_565 ?
 Al3 O0H 1.801(4) 4_565 ?
 Al3 O00M 1.856(4) 4_565 ?
 Al3 O0Q 1.780(4) . ?
 Al3 O00T 1.796(4) . ?
 Al4 O0H 1.737(4) . ?
 Al4 O0I 1.773(4) . ?
 Al4 O0J 1.782(4) . ?
 Al4 O00T 1.739(4) . ?
 Al5 O0G 1.767(4) . ?
 Al5 O0L 1.734(4) . ?
 Al5 O00S 1.723(4) . ?
 Al5 O00Z 1.788(4) . ?
 Al6 O0G 1.794(4) 3_655 ?
 Al6 O0G 1.790(4) . ?
 Al6 O0K 2.046(2) . ?
 Al6 O00W 1.836(4) . ?
 Al6 O00Y 1.766(4) . ?
 Al7 O0L 1.798(4) 4_565 ?
 Al7 O0N 1.841(4) . ?
 Al7 O0P 1.878(4) 4_565 ?
 Al7 O00S 1.807(4) . ?
 Al7 O00W 1.856(4) 4_565 ?
 S00C O011 1.420(6) . ?
 S00C O013 1.425(6) . ?
 S00C N01C 1.604(7) . ?
 S00C C01L 1.768(3) . ?
 S00D O015 1.435(6) . ?
 S00D O01E 1.423(8) . ?
 S00D N01T 1.594(9) . ?
 S00D C01N 1.755(3) . ?
 O0J C012 1.315(7) . ?
 O00M H00M 0.9548 . ?
 O0N C019 1.296(7) . ?
 O0O O0O 0.000(13) 3_655 ?
 O0O O0O 0.000(13) 4_565 ?
 O0O O0O 0.000(13) 2_665 ?
 O0Q C016 1.425(7) . ?
 O0R C01D 1.445(7) . ?
 O00U C012 1.213(7) . ?
 O00V C01I 1.436(7) . ?
 O00W H00W 0.9500 . ?
 O00X C01B 1.428(8) . ?
 O00Y C01R 1.400(9) . ?
 O00Z C01G 1.285(8) . ?
 O010 C01G 1.241(8) . ?
 C012 C017 1.481(7) . ?
 O014 C019 1.235(8) . ?
 C016 H016 1.0000 . ?
 C016 C02A 1.444(10) . ?
 C016 C02N 1.488(12) . ?
 C019 C018 1.482(7) . ?
 C01B H01B 1.0000 . ?
 C01B C01W 1.469(12) . ?
 C01B C020 1.512(11) . ?
 N01C C021 1.479(12) . ?
 N01C C028 1.467(12) . ?
 C01D H01D 1.0000 . ?
 C01D C01K 1.517(10) . ?
 C01D C01P 1.513(10) . ?
 C01G C01U 1.486(7) . ?
 C01I H01I 1.0000 . ?
 C01I C02I 1.445(11) . ?
 C01I C02K 1.554(11) . ?
 C01K H01A 0.9800 . ?
 C01K H01C 0.9800 . ?
 C01K H01E 0.9800 . ?
 C01O H01O 0.9500 . ?
 C01O C01M 1.3900 . ?
 C01O C01L 1.3900 . ?
 C01M H01M 0.9500 . ?
 C01M C017 1.3900 . ?
 C017 C01A 1.3900 . ?
 C01A H01F 0.9500 . ?
 C01A C01J 1.3900 . ?
 C01J H01J 0.9500 . ?
 C01J C01L 1.3900 . ?
 C01P H01G 0.9800 . ?
 C01P H01H 0.9800 . ?
 C01P H01K 0.9800 . ?
 C01R H01R 1.0000 . ?
 C01R C024 1.541(11) . ?
 C01R C027 1.507(12) . ?
 N01S S01Z 1.706(11) . ?
 N01S C02B 1.410(19) . ?
 N01S C02M 1.58(2) . ?
 N01T C02H 1.537(19) . ?
 N01T C02O 1.417(16) . ?
 O01V C02G 1.470(13) . ?
 O01V B02W 1.363(19) . ?
 C01W H01L 0.9800 . ?
 C01W H01N 0.9800 . ?
 C01W H01P 0.9800 . ?
 O01X C02F 1.436(14) . ?
 O01X B02W 1.405(19) . ?
 C01Y H01Y 0.9500 . ?
 C01Y C01U 1.3900 . ?
 C01Y C026 1.3900 . ?
 C01U C022 1.3900 . ?
 C022 H022 0.9500 . ?
 C022 C029 1.3900 . ?
 C029 H029 0.9500 . ?
 C029 C025 1.3900 . ?
 C025 C026 1.3900 . ?
 C025 S01Z 1.772(4) . ?
 C026 H026 0.9500 . ?
 S01Z O6 1.388(12) . ?
 S01Z O8 1.528(15) . ?
 C020 H02A 0.9800 . ?
 C020 H02B 0.9800 . ?
 C020 H02C 0.9800 . ?
 C021 H02D 0.9900 . ?
 C021 H02E 0.9900 . ?
 C021 C02V 1.431(17) . ?
 C023 H023 0.9500 . ?
 C023 C01Q 1.3900 . ?
 C023 C01N 1.3900 . ?
 C01Q H01Q 0.9500 . ?
 C01Q C018 1.3900 . ?
 C018 C01F 1.3900 . ?
 C01F H01S 0.9500 . ?
 C01F C01H 1.3900 . ?
 C01H H01T 0.9500 . ?
 C01H C01N 1.3900 . ?
 C024 H02F 0.9800 . ?
 C024 H02G 0.9800 . ?
 C024 H02H 0.9800 . ?
 C027 H02I 0.9800 . ?
 C027 H02J 0.9800 . ?
 C027 H02K 0.9800 . ?
 C028 H02L 0.9900 . ?
 C028 H02M 0.9900 . ?
 C028 C02J 1.419(12) . ?
 C02A H02N 0.9800 . ?
 C02A H02O 0.9800 . ?
 C02A H02P 0.9800 . ?
 C02B H02Q 0.9900 . ?
 C02B H02R 0.9900 . ?
 C02B C23 1.62(2) . ?
 C02C H7 0.9800 . ?
 C02C H 0.9800 . ?
 C02C HA 0.9800 . ?
 C02C C02G 1.460(15) . ?
 C02D H8 0.9800 . ?
 C02D HB 0.9800 . ?
 C02D HC 0.9800 . ?
 C02D C02F 1.471(15) . ?
 C02E H9 0.9800 . ?
 C02E HD 0.9800 . ?
 C02E HE 0.9800 . ?
 C02E C02G 1.504(15) . ?
 C02F C02G 1.587(15) . ?
 C02F C02S 1.475(18) . ?
 C02H H02S 0.9900 . ?
 C02H H02T 0.9900 . ?
 C02H C18 1.65(2) . ?
 C02I H02U 0.9800 . ?
 C02I H02V 0.9800 . ?
 C02I H02W 0.9800 . ?
 C02J H02X 0.9900 . ?
 C02J H02Y 0.9900 . ?
 C02J C02Q 1.529(15) . ?
 C02K H02Z 0.9800 . ?
 C02K HF 0.9800 . ?
 C02K HG 0.9800 . ?
 C02L H02 0.9900 . ?
 C02L HH 0.9900 . ?
 C02L C02M 1.464(19) . ?
 C02L C02U 1.45(2) . ?
 C02M H1 0.9900 . ?
 C02M HI 0.9900 . ?
 C02N H2 0.9800 . ?
 C02N HJ 0.9800 . ?
 C02N HK 0.9800 . ?
 C02O H3 0.9900 . ?
 C02O HL 0.9900 . ?
 C02O C16 1.514(18) . ?
 C02Q H4 0.9800 . ?
 C02Q HM 0.9800 . ?
 C02Q HN 0.9800 . ?
 C02R C02P 1.3900 . ?
 C02R C02X 1.3900 . ?
 C02R B02W 1.523(17) . ?
 C02P H10 0.9500 . ?
 C02P C22 1.3900 . ?
 C22 H22 0.9500 . ?
 C22 C02T 1.3900 . ?
 C02T H11 0.9500 . ?
 C02T C28 1.3900 . ?
 C28 H28 0.9500 . ?
 C28 C02X 1.3900 . ?
 C02X H12 0.9500 . ?
 C02S H13 0.9800 . ?
 C02S HO 0.9800 . ?
 C02S HP 0.9800 . ?
 C02U H5 0.9800 . ?
 C02U HQ 0.9800 . ?
 C02U HR 0.9800 . ?
 C02V H6 0.9900 . ?
 C02V HS 0.9900 . ?
 C02V HT 0.9500 . ?
 C02V C1 1.50(3) . ?
 C02V C27 1.30(3) . ?
 C23 H23A 0.9900 . ?
 C23 H23B 0.9900 . ?
 C23 C26 1.61(2) . ?
 C26 H26A 0.9800 . ?
 C26 H26B 0.9800 . ?
 C26 H26C 0.9800 . ?
 C16 H16C 0.9900 . ?
 C16 H16D 0.9900 . ?
 C16 H16A 0.9900 . ?
 C16 H16B 0.9900 . ?
 C16 C30 1.60(3) . ?
 C16 C31 1.509(17) . ?
 C18 H18A 0.9900 . ?
 C18 H18B 0.9900 . ?
 C18 C20 1.44(2) . ?
 C20 H20A 0.9800 . ?
 C20 H20B 0.9800 . ?
 C20 H20C 0.9800 . ?
 C1 H1A 0.9800 . ?
 C1 H1B 0.9800 . ?
 C1 H1C 0.9800 . ?
 C27 H27A 0.9800 . ?
 C27 H27B 0.9800 . ?
 C27 H27C 0.9800 . ?
 C30 H30A 0.9800 . ?
 C30 H30B 0.9800 . ?
 C30 H30C 0.9800 . ?
 C31 H31A 0.9800 . ?
 C31 H31B 0.9800 . ?
 C31 H31C 0.9800 . ?

loop_
  _geom_angle_atom_site_label_1
  _geom_angle_atom_site_label_2
  _geom_angle_atom_site_label_3
  _geom_angle
  _geom_angle_site_symmetry_1
  _geom_angle_site_symmetry_3
  _geom_angle_publ_flag
 O0F Pb01 O0Q 66.64(12) . 3_655 ?
 O0F Pb01 O00V 65.47(14) . . ?
 O0F Pb01 O00X 64.35(14) . 3_655 ?
 O0F Pb01 O010 85.41(13) . 3_655 ?
 O0Q Pb01 O00X 83.44(13) 3_655 3_655 ?
 O0Q Pb01 O010 151.06(14) 3_655 3_655 ?
 O00V Pb01 O0Q 85.40(12) . 3_655 ?
 O00V Pb01 O00X 128.94(13) . 3_655 ?
 O00V Pb01 O010 89.80(14) . 3_655 ?
 O00X Pb01 O010 77.51(15) 3_655 3_655 ?
 O0O Pb02 O0O 0.000(1) 4_565 2_665 ?
 O0O Pb02 O0O 0.000(1) . 3_655 ?
 O0O Pb02 O0O 0.000(1) 4_565 . ?
 O0O Pb02 O0O 0.000(1) . 2_665 ?
 O0O Pb02 O0O 0.000(1) 4_565 3_655 ?
 O0O Pb02 O0O 0.000(1) 3_655 2_665 ?
 O0O Pb02 O0R 66.81(9) 4_565 3_655 ?
 O0O Pb02 O0R 66.81(9) . 2_665 ?
 O0O Pb02 O0R 66.81(9) . . ?
 O0O Pb02 O0R 66.81(9) . 3_655 ?
 O0O Pb02 O0R 66.81(9) 2_665 2_665 ?
 O0O Pb02 O0R 66.81(9) 3_655 3_655 ?
 O0O Pb02 O0R 66.81(9) 2_665 . ?
 O0O Pb02 O0R 66.81(9) 2_665 3_655 ?
 O0O Pb02 O0R 66.81(9) 3_655 2_665 ?
 O0O Pb02 O0R 66.81(9) 4_565 4_565 ?
 O0O Pb02 O0R 66.81(9) 4_565 . ?
 O0O Pb02 O0R 66.81(9) . 4_565 ?
 O0O Pb02 O0R 66.81(9) 3_655 . ?
 O0O Pb02 O0R 66.81(9) 3_655 4_565 ?
 O0O Pb02 O0R 66.81(9) 4_565 2_665 ?
 O0O Pb02 O0R 66.81(9) 2_665 4_565 ?
 O0R Pb02 O0R 133.62(17) 3_655 4_565 ?
 O0R Pb02 O0R 133.62(17) 2_665 . ?
 O0R Pb02 O0R 81.08(6) 3_655 . ?
 O0R Pb02 O0R 81.08(6) 3_655 2_665 ?
 O0R Pb02 O0R 81.08(6) 4_565 2_665 ?
 O0R Pb02 O0R 81.08(6) 4_565 . ?
 O0K Pb03 O00Y 66.90(9) . . ?
 O0K Pb03 O00Y 66.90(9) . 2_665 ?
 O0K Pb03 O00Y 66.90(9) . 3_655 ?
 O0K Pb03 O00Y 66.90(9) . 4_565 ?
 O00Y Pb03 O00Y 133.79(18) 4_565 3_655 ?
 O00Y Pb03 O00Y 81.14(7) 3_655 2_665 ?
 O00Y Pb03 O00Y 81.14(7) 4_565 2_665 ?
 O00Y Pb03 O00Y 81.14(7) . 4_565 ?
 O00Y Pb03 O00Y 133.79(18) . 2_665 ?
 O00Y Pb03 O00Y 81.14(7) . 3_655 ?
 O0I Al00 O0I 124.6(2) 3_655 . ?
 O0I Al00 O00M 95.38(18) 3_655 . ?
 O0I Al00 O00M 94.65(17) . . ?
 O0I Al00 O0O 82.27(15) 3_655 3_655 ?
 O0I Al00 O0O 82.16(15) . 2_665 ?
 O0I Al00 O0O 82.27(15) 3_655 4_565 ?
 O0I Al00 O0O 82.16(15) . 3_655 ?
 O0I Al00 O0O 82.27(15) 3_655 . ?
 O0I Al00 O0O 82.16(15) . 4_565 ?
 O0I Al00 O0O 82.16(15) . . ?
 O0I Al00 O0O 82.27(15) 3_655 2_665 ?
 O00M Al00 O0O 173.9(2) . 2_665 ?
 O00M Al00 O0O 173.9(2) . . ?
 O00M Al00 O0O 173.9(2) . 4_565 ?
 O00M Al00 O0O 173.9(2) . 3_655 ?
 O0O Al00 O0O 0.0 . 3_655 ?
 O0O Al00 O0O 0.0 3_655 4_565 ?
 O0O Al00 O0O 0.0 . 2_665 ?
 O0O Al00 O0O 0.0 2_665 3_655 ?
 O0O Al00 O0O 0.0 . 4_565 ?
 O0O Al00 O0O 0.0 2_665 4_565 ?
 O0R Al00 O0I 115.56(19) . 3_655 ?
 O0R Al00 O0I 115.76(19) . . ?
 O0R Al00 O00M 100.59(18) . . ?
 O0R Al00 O0O 85.5(2) . . ?
 O0R Al00 O0O 85.5(2) . 4_565 ?
 O0R Al00 O0O 85.5(2) . 2_665 ?
 O0R Al00 O0O 85.5(2) . 3_655 ?
 Al7 Al1 Al3 156.70(8) 3_655 3_655 ?
 O0F Al1 Al3 42.83(11) . 3_655 ?
 O0F Al1 Al7 132.59(13) . 3_655 ?
 O0H Al1 Al3 39.14(12) . 3_655 ?
 O0H Al1 Al7 129.76(14) . 3_655 ?
 O0H Al1 O0F 80.97(16) . . ?
 O0H Al1 O00S 137.4(2) . 3_655 ?
 O0P Al1 Al3 135.84(15) . 3_655 ?
 O0P Al1 Al7 43.06(13) . 3_655 ?
 O0P Al1 O0F 170.00(19) . . ?
 O0P Al1 O0H 96.71(18) . . ?
 O0P Al1 O00S 83.42(18) . 3_655 ?
 O00S Al1 Al3 126.80(14) 3_655 3_655 ?
 O00S Al1 Al7 40.89(12) 3_655 3_655 ?
 O00S Al1 O0F 91.70(17) 3_655 . ?
 O00V Al1 Al3 95.04(14) . 3_655 ?
 O00V Al1 Al7 107.86(14) . 3_655 ?
 O00V Al1 O0F 86.20(18) . . ?
 O00V Al1 O0H 110.94(18) . . ?
 O00V Al1 O0P 103.67(19) . . ?
 O00V Al1 O00S 110.29(18) . 3_655 ?
 Al7 Al2 Pb01 130.07(7) 3_655 4_565 ?
 O0F Al2 Pb01 39.98(11) 4_565 4_565 ?
 O0F Al2 Al7 131.54(13) 4_565 3_655 ?
 O0L Al2 Pb01 101.95(13) . 4_565 ?
 O0L Al2 Al7 40.65(13) . 3_655 ?
 O0L Al2 O0F 90.91(17) . 4_565 ?
 O0L Al2 O00T 135.9(2) . . ?
 O0P Al2 Pb01 149.84(13) . 4_565 ?
 O0P Al2 Al7 43.11(13) . 3_655 ?
 O0P Al2 O0F 169.48(19) . 4_565 ?
 O0P Al2 O0L 82.93(18) . . ?
 O0P Al2 O00T 97.27(18) . . ?
 O00T Al2 Pb01 99.26(13) . 4_565 ?
 O00T Al2 Al7 130.39(14) . 3_655 ?
 O00T Al2 O0F 81.22(16) . 4_565 ?
 O00X Al2 Pb01 46.41(14) . 4_565 ?
 O00X Al2 Al7 108.72(15) . 3_655 ?
 O00X Al2 O0F 86.17(19) . 4_565 ?
 O00X Al2 O0L 113.03(19) . . ?
 O00X Al2 O0P 104.07(19) . . ?
 O00X Al2 O00T 109.68(19) . . ?
 O0F Al3 Pb01 41.68(11) 4_565 4_565 ?
 O0H Al3 Pb01 101.39(13) 4_565 4_565 ?
 O0H Al3 O0F 81.85(17) 4_565 4_565 ?
 O0H Al3 O00M 93.86(17) 4_565 4_565 ?
 O00M Al3 Pb01 145.78(13) 4_565 4_565 ?
 O00M Al3 O0F 172.47(18) 4_565 4_565 ?
 O0Q Al3 Pb01 47.07(13) . 4_565 ?
 O0Q Al3 O0F 88.75(18) . 4_565 ?
 O0Q Al3 O0H 117.60(19) . 4_565 ?
 O0Q Al3 O00M 98.74(18) . 4_565 ?
 O0Q Al3 O00T 117.78(19) . . ?
 O00T Al3 Pb01 102.67(13) . 4_565 ?
 O00T Al3 O0F 82.36(17) . 4_565 ?
 O00T Al3 O0H 121.64(19) . 4_565 ?
 O00T Al3 O00M 94.77(18) . 4_565 ?
 O0H Al4 O0I 109.59(18) . . ?
 O0H Al4 O0J 110.10(19) . . ?
 O0H Al4 O00T 111.75(19) . . ?
 O0I Al4 O0J 110.27(19) . . ?
 O00T Al4 O0I 108.36(18) . . ?
 O00T Al4 O0J 106.72(19) . . ?
 O0G Al5 O00Z 104.2(2) . . ?
 O0L Al5 O0G 109.39(19) . . ?
 O0L Al5 O00Z 107.2(2) . . ?
 O00S Al5 O0G 109.59(19) . . ?
 O00S Al5 O0L 112.9(2) . . ?
 O00S Al5 O00Z 113.2(2) . . ?
 O0G Al6 O0G 120.3(2) . 3_655 ?
 O0G Al6 O0K 82.25(17) . . ?
 O0G Al6 O0K 82.17(16) 3_655 . ?
 O0G Al6 O00W 95.26(19) . . ?
 O0G Al6 O00W 94.65(19) 3_655 . ?
 O00W Al6 O0K 174.2(2) . . ?
 O00Y Al6 O0G 117.4(2) . 3_655 ?
 O00Y Al6 O0G 118.1(2) . . ?
 O00Y Al6 O0K 85.0(2) . . ?
 O00Y Al6 O00W 100.8(2) . . ?
 O0L Al7 O0N 116.6(2) 4_565 . ?
 O0L Al7 O0P 82.59(18) 4_565 4_565 ?
 O0L Al7 O00S 120.81(19) 4_565 . ?
 O0L Al7 O00W 94.60(19) 4_565 4_565 ?
 O0N Al7 O0P 94.09(18) . 4_565 ?
 O0N Al7 O00W 92.76(18) . 4_565 ?
 O00S Al7 O0N 121.5(2) . . ?
 O00S Al7 O0P 83.29(17) . 4_565 ?
 O00S Al7 O00W 92.88(19) . 4_565 ?
 O00W Al7 O0P 173.15(19) 4_565 4_565 ?
 O011 S00C O013 120.5(4) . . ?
 O011 S00C N01C 108.2(4) . . ?
 O011 S00C C01L 106.7(3) . . ?
 O013 S00C N01C 107.2(4) . . ?
 O013 S00C C01L 106.6(3) . . ?
 N01C S00C C01L 106.9(3) . . ?
 O015 S00D N01T 107.4(5) . . ?
 O015 S00D C01N 107.5(3) . . ?
 O01E S00D O015 118.6(4) . . ?
 O01E S00D N01T 108.6(6) . . ?
 O01E S00D C01N 107.3(4) . . ?
 N01T S00D C01N 106.9(3) . . ?
 Al1 O0F Pb01 105.29(17) . . ?
 Al1 O0F Al2 143.5(2) . 3_655 ?
 Al1 O0F Al3 94.39(18) . 3_655 ?
 Al2 O0F Pb01 106.96(17) 3_655 . ?
 Al2 O0F Al3 94.11(17) 3_655 3_655 ?
 Al3 O0F Pb01 103.88(16) 3_655 . ?
 Al5 O0G Al6 127.9(2) . 4_565 ?
 Al5 O0G Al6 127.6(2) . . ?
 Al6 O0G Al6 103.5(2) . 4_565 ?
 Al3 O0H Al1 100.78(19) 3_655 . ?
 Al4 O0H Al1 130.3(2) . . ?
 Al4 O0H Al3 128.8(2) . 3_655 ?
 Al00 O0I Al00 104.0(2) 4_565 . ?
 Al4 O0I Al00 128.6(2) . 4_565 ?
 Al4 O0I Al00 127.1(2) . . ?
 C012 O0J Al4 129.4(4) . . ?
 Al6 O0K Pb03 103.44(19) 4_565 . ?
 Al6 O0K Pb03 103.44(19) . . ?
 Al6 O0K Pb03 103.44(19) 2_665 . ?
 Al6 O0K Pb03 103.44(19) 3_655 . ?
 Al6 O0K Al6 86.90(9) 3_655 . ?
 Al6 O0K Al6 153.1(4) 2_665 . ?
 Al6 O0K Al6 86.90(9) 4_565 . ?
 Al6 O0K Al6 86.90(9) 2_665 4_565 ?
 Al6 O0K Al6 86.90(9) 2_665 3_655 ?
 Al6 O0K Al6 153.1(4) 4_565 3_655 ?
 Al5 O0L Al2 133.8(2) . . ?
 Al5 O0L Al7 128.5(2) . 3_655 ?
 Al7 O0L Al2 97.63(19) 3_655 . ?
 Al00 O00M Al3 128.2(2) . 3_655 ?
 Al00 O00M H00M 116.4 . . ?
 Al3 O00M H00M 106.7 3_655 . ?
 C019 O0N Al7 132.3(4) . . ?
 Al00 O0O Pb02 102.63(18) 3_655 . ?
 Al00 O0O Pb02 102.63(18) . . ?
 Al00 O0O Pb02 102.63(18) 4_565 . ?
 Al00 O0O Pb02 102.63(18) 2_665 . ?
 Al00 O0O Al00 87.26(8) 2_665 3_655 ?
 Al00 O0O Al00 87.26(8) . 4_565 ?
 Al00 O0O Al00 154.7(4) 3_655 4_565 ?
 Al00 O0O Al00 87.26(8) 3_655 . ?
 Al00 O0O Al00 87.26(8) 2_665 4_565 ?
 Al00 O0O Al00 154.7(4) 2_665 . ?
 O0O O0O Pb02 0(8) 2_665 . ?
 O0O O0O Pb02 0(8) 3_655 . ?
 O0O O0O Pb02 0(8) 4_565 . ?
 O0O O0O Al00 0(10) 4_565 . ?
 O0O O0O Al00 0(10) 2_665 4_565 ?
 O0O O0O Al00 0(10) 3_655 3_655 ?
 O0O O0O Al00 0(10) 2_665 2_665 ?
 O0O O0O Al00 0(10) 4_565 3_655 ?
 O0O O0O Al00 0(10) 2_665 3_655 ?
 O0O O0O Al00 0(10) 2_665 . ?
 O0O O0O Al00 0(10) 3_655 . ?
 O0O O0O Al00 0(10) 4_565 4_565 ?
 O0O O0O Al00 0(10) 3_655 2_665 ?
 O0O O0O Al00 0(10) 4_565 2_665 ?
 O0O O0O Al00 0(10) 3_655 4_565 ?
 O0O O0O O0O 0(10) 4_565 2_665 ?
 O0O O0O O0O 0(10) 4_565 3_655 ?
 O0O O0O O0O 0(10) 3_655 2_665 ?
 Al1 O0P Al7 95.05(19) . 3_655 ?
 Al2 O0P Al1 138.7(2) . . ?
 Al2 O0P Al7 95.20(18) . 3_655 ?
 Al3 O0Q Pb01 100.72(17) . 4_565 ?
 C016 O0Q Pb01 126.0(4) . 4_565 ?
 C016 O0Q Al3 132.4(4) . . ?
 Al00 O0R Pb02 105.06(17) . . ?
 C01D O0R Pb02 126.5(4) . . ?
 C01D O0R Al00 127.6(4) . . ?
 Al5 O00S Al1 132.7(2) . 4_565 ?
 Al5 O00S Al7 130.1(2) . . ?
 Al7 O00S Al1 97.18(19) . 4_565 ?
 Al3 O00T Al2 100.38(18) . . ?
 Al4 O00T Al2 129.5(2) . . ?
 Al4 O00T Al3 130.1(2) . . ?
 Al1 O00V Pb01 102.81(18) . . ?
 C01I O00V Pb01 130.6(4) . . ?
 C01I O00V Al1 126.6(4) . . ?
 Al6 O00W Al7 130.2(2) . 3_655 ?
 Al6 O00W H00W 114.9 . . ?
 Al7 O00W H00W 114.9 3_655 . ?
 Al2 O00X Pb01 102.15(18) . 4_565 ?
 C01B O00X Pb01 127.3(4) . 4_565 ?
 C01B O00X Al2 129.7(4) . . ?
 Al6 O00Y Pb03 104.66(19) . . ?
 C01R O00Y Pb03 123.8(4) . . ?
 C01R O00Y Al6 129.4(4) . . ?
 C01G O00Z Al5 125.8(4) . . ?
 C01G O010 Pb01 160.7(4) . 4_565 ?
 O0J C012 C017 115.2(5) . . ?
 O00U C012 O0J 124.4(5) . . ?
 O00U C012 C017 120.4(5) . . ?
 O0Q C016 H016 108.4 . . ?
 O0Q C016 C02A 112.2(6) . . ?
 O0Q C016 C02N 107.9(6) . . ?
 C02A C016 H016 108.4 . . ?
 C02A C016 C02N 111.3(8) . . ?
 C02N C016 H016 108.4 . . ?
 O0N C019 C018 116.6(6) . . ?
 O014 C019 O0N 124.3(6) . . ?
 O014 C019 C018 119.1(6) . . ?
 O00X C01B H01B 106.6 . . ?
 O00X C01B C01W 111.7(7) . . ?
 O00X C01B C020 110.4(6) . . ?
 C01W C01B H01B 106.6 . . ?
 C01W C01B C020 114.3(8) . . ?
 C020 C01B H01B 106.6 . . ?
 C021 N01C S00C 120.6(7) . . ?
 C028 N01C S00C 117.5(7) . . ?
 C028 N01C C021 117.5(9) . . ?
 O0R C01D H01D 108.8 . . ?
 O0R C01D C01K 109.2(6) . . ?
 O0R C01D C01P 108.0(6) . . ?
 C01K C01D H01D 108.8 . . ?
 C01P C01D H01D 108.8 . . ?
 C01P C01D C01K 113.1(6) . . ?
 O00Z C01G C01U 113.8(6) . . ?
 O010 C01G O00Z 125.0(6) . . ?
 O010 C01G C01U 121.1(6) . . ?
 O00V C01I H01I 109.5 . . ?
 O00V C01I C02I 110.6(6) . . ?
 O00V C01I C02K 105.1(6) . . ?
 C02I C01I H01I 109.5 . . ?
 C02I C01I C02K 112.6(8) . . ?
 C02K C01I H01I 109.5 . . ?
 C01D C01K H01A 109.5 . . ?
 C01D C01K H01C 109.5 . . ?
 C01D C01K H01E 109.5 . . ?
 H01A C01K H01C 109.5 . . ?
 H01A C01K H01E 109.5 . . ?
 H01C C01K H01E 109.5 . . ?
 C01M C01O H01O 120.0 . . ?
 C01M C01O C01L 120.0 . . ?
 C01L C01O H01O 120.0 . . ?
 C01O C01M H01M 120.0 . . ?
 C01O C01M C017 120.0 . . ?
 C017 C01M H01M 120.0 . . ?
 C01M C017 C012 121.4(4) . . ?
 C01M C017 C01A 120.0 . . ?
 C01A C017 C012 118.6(4) . . ?
 C017 C01A H01F 120.0 . . ?
 C01J C01A C017 120.0 . . ?
 C01J C01A H01F 120.0 . . ?
 C01A C01J H01J 120.0 . . ?
 C01A C01J C01L 120.0 . . ?
 C01L C01J H01J 120.0 . . ?
 C01O C01L S00C 119.8(3) . . ?
 C01J C01L S00C 120.0(3) . . ?
 C01J C01L C01O 120.0 . . ?
 C01D C01P H01G 109.5 . . ?
 C01D C01P H01H 109.5 . . ?
 C01D C01P H01K 109.5 . . ?
 H01G C01P H01H 109.5 . . ?
 H01G C01P H01K 109.5 . . ?
 H01H C01P H01K 109.5 . . ?
 O00Y C01R H01R 108.3 . . ?
 O00Y C01R C024 109.3(7) . . ?
 O00Y C01R C027 110.5(7) . . ?
 C024 C01R H01R 108.3 . . ?
 C027 C01R H01R 108.3 . . ?
 C027 C01R C024 112.1(7) . . ?
 C02B N01S S01Z 117.0(12) . . ?
 C02B N01S C02M 119.4(13) . . ?
 C02M N01S S01Z 112.9(12) . . ?
 C02H N01T S00D 115.5(9) . . ?
 C02O N01T S00D 119.6(12) . . ?
 C02O N01T C02H 114.7(12) . . ?
 B02W O01V C02G 105.2(11) . . ?
 C01B C01W H01L 109.5 . . ?
 C01B C01W H01N 109.5 . . ?
 C01B C01W H01P 109.5 . . ?
 H01L C01W H01N 109.5 . . ?
 H01L C01W H01P 109.5 . . ?
 H01N C01W H01P 109.5 . . ?
 B02W O01X C02F 106.4(10) . . ?
 C01U C01Y H01Y 120.0 . . ?
 C01U C01Y C026 120.0 . . ?
 C026 C01Y H01Y 120.0 . . ?
 C01Y C01U C01G 120.1(5) . . ?
 C022 C01U C01G 119.9(5) . . ?
 C022 C01U C01Y 120.0 . . ?
 C01U C022 H022 120.0 . . ?
 C01U C022 C029 120.0 . . ?
 C029 C022 H022 120.0 . . ?
 C022 C029 H029 120.0 . . ?
 C022 C029 C025 120.0 . . ?
 C025 C029 H029 120.0 . . ?
 C029 C025 C026 120.0 . . ?
 C029 C025 S01Z 122.7(4) . . ?
 C026 C025 S01Z 117.2(4) . . ?
 C01Y C026 H026 120.0 . . ?
 C025 C026 C01Y 120.0 . . ?
 C025 C026 H026 120.0 . . ?
 N01S S01Z C025 105.8(4) . . ?
 O6 S01Z N01S 106.5(8) . . ?
 O6 S01Z C025 105.0(6) . . ?
 O6 S01Z O8 122.8(8) . . ?
 O8 S01Z N01S 107.1(8) . . ?
 O8 S01Z C025 108.4(6) . . ?
 C01B C020 H02A 109.5 . . ?
 C01B C020 H02B 109.5 . . ?
 C01B C020 H02C 109.5 . . ?
 H02A C020 H02B 109.5 . . ?
 H02A C020 H02C 109.5 . . ?
 H02B C020 H02C 109.5 . . ?
 N01C C021 H02D 108.2 . . ?
 N01C C021 H02E 108.2 . . ?
 H02D C021 H02E 107.4 . . ?
 C02V C021 N01C 116.2(11) . . ?
 C02V C021 H02D 108.2 . . ?
 C02V C021 H02E 108.2 . . ?
 C01Q C023 H023 120.0 . . ?
 C01Q C023 C01N 120.0 . . ?
 C01N C023 H023 120.0 . . ?
 C023 C01Q H01Q 120.0 . . ?
 C018 C01Q C023 120.0 . . ?
 C018 C01Q H01Q 120.0 . . ?
 C01Q C018 C019 118.4(4) . . ?
 C01F C018 C019 121.5(4) . . ?
 C01F C018 C01Q 120.0 . . ?
 C018 C01F H01S 120.0 . . ?
 C01H C01F C018 120.0 . . ?
 C01H C01F H01S 120.0 . . ?
 C01F C01H H01T 120.0 . . ?
 C01F C01H C01N 120.0 . . ?
 C01N C01H H01T 120.0 . . ?
 C023 C01N S00D 119.4(3) . . ?
 C01H C01N S00D 120.4(3) . . ?
 C01H C01N C023 120.0 . . ?
 C01R C024 H02F 109.5 . . ?
 C01R C024 H02G 109.5 . . ?
 C01R C024 H02H 109.5 . . ?
 H02F C024 H02G 109.5 . . ?
 H02F C024 H02H 109.5 . . ?
 H02G C024 H02H 109.5 . . ?
 C01R C027 H02I 109.5 . . ?
 C01R C027 H02J 109.5 . . ?
 C01R C027 H02K 109.5 . . ?
 H02I C027 H02J 109.5 . . ?
 H02I C027 H02K 109.5 . . ?
 H02J C027 H02K 109.5 . . ?
 N01C C028 H02L 108.5 . . ?
 N01C C028 H02M 108.5 . . ?
 H02L C028 H02M 107.5 . . ?
 C02J C028 N01C 115.2(9) . . ?
 C02J C028 H02L 108.5 . . ?
 C02J C028 H02M 108.5 . . ?
 C016 C02A H02N 109.5 . . ?
 C016 C02A H02O 109.5 . . ?
 C016 C02A H02P 109.5 . . ?
 H02N C02A H02O 109.5 . . ?
 H02N C02A H02P 109.5 . . ?
 H02O C02A H02P 109.5 . . ?
 N01S C02B H02Q 109.8 . . ?
 N01S C02B H02R 109.8 . . ?
 N01S C02B C23 109.6(15) . . ?
 H02Q C02B H02R 108.2 . . ?
 C23 C02B H02Q 109.8 . . ?
 C23 C02B H02R 109.8 . . ?
 H7 C02C H 109.5 . . ?
 H7 C02C HA 109.5 . . ?
 H C02C HA 109.5 . . ?
 C02G C02C H7 109.5 . . ?
 C02G C02C H 109.5 . . ?
 C02G C02C HA 109.5 . . ?
 H8 C02D HB 109.5 . . ?
 H8 C02D HC 109.5 . . ?
 HB C02D HC 109.5 . . ?
 C02F C02D H8 109.5 . . ?
 C02F C02D HB 109.5 . . ?
 C02F C02D HC 109.5 . . ?
 H9 C02E HD 109.5 . . ?
 H9 C02E HE 109.5 . . ?
 HD C02E HE 109.5 . . ?
 C02G C02E H9 109.5 . . ?
 C02G C02E HD 109.5 . . ?
 C02G C02E HE 109.5 . . ?
 O01X C02F C02D 106.9(10) . . ?
 O01X C02F C02G 101.9(10) . . ?
 O01X C02F C02S 111.0(11) . . ?
 C02D C02F C02G 114.6(9) . . ?
 C02D C02F C02S 109.5(11) . . ?
 C02S C02F C02G 112.6(10) . . ?
 O01V C02G C02C 108.5(9) . . ?
 O01V C02G C02E 106.3(9) . . ?
 O01V C02G C02F 102.5(9) . . ?
 C02C C02G C02E 112.5(10) . . ?
 C02C C02G C02F 112.8(9) . . ?
 C02E C02G C02F 113.4(9) . . ?
 N01T C02H H02S 109.6 . . ?
 N01T C02H H02T 109.6 . . ?
 N01T C02H C18 110.2(13) . . ?
 H02S C02H H02T 108.1 . . ?
 C18 C02H H02S 109.6 . . ?
 C18 C02H H02T 109.6 . . ?
 C01I C02I H02U 109.5 . . ?
 C01I C02I H02V 109.5 . . ?
 C01I C02I H02W 109.5 . . ?
 H02U C02I H02V 109.5 . . ?
 H02U C02I H02W 109.5 . . ?
 H02V C02I H02W 109.5 . . ?
 C028 C02J H02X 109.1 . . ?
 C028 C02J H02Y 109.1 . . ?
 C028 C02J C02Q 112.5(10) . . ?
 H02X C02J H02Y 107.8 . . ?
 C02Q C02J H02X 109.1 . . ?
 C02Q C02J H02Y 109.1 . . ?
 C01I C02K H02Z 109.5 . . ?
 C01I C02K HF 109.5 . . ?
 C01I C02K HG 109.5 . . ?
 H02Z C02K HF 109.5 . . ?
 H02Z C02K HG 109.5 . . ?
 HF C02K HG 109.5 . . ?
 H02 C02L HH 109.5 . . ?
 C02M C02L H02 111.8 . . ?
 C02M C02L HH 111.8 . . ?
 C02U C02L H02 111.8 . . ?
 C02U C02L HH 111.8 . . ?
 C02U C02L C02M 99.9(17) . . ?
 N01S C02M H1 110.2 . . ?
 N01S C02M HI 110.2 . . ?
 C02L C02M N01S 107.6(15) . . ?
 C02L C02M H1 110.2 . . ?
 C02L C02M HI 110.2 . . ?
 H1 C02M HI 108.5 . . ?
 C016 C02N H2 109.5 . . ?
 C016 C02N HJ 109.5 . . ?
 C016 C02N HK 109.5 . . ?
 H2 C02N HJ 109.5 . . ?
 H2 C02N HK 109.5 . . ?
 HJ C02N HK 109.5 . . ?
 N01T C02O H3 107.9 . . ?
 N01T C02O HL 107.9 . . ?
 N01T C02O C16 117.8(13) . . ?
 H3 C02O HL 107.2 . . ?
 C16 C02O H3 107.9 . . ?
 C16 C02O HL 107.9 . . ?
 C02J C02Q H4 109.5 . . ?
 C02J C02Q HM 109.5 . . ?
 C02J C02Q HN 109.5 . . ?
 H4 C02Q HM 109.5 . . ?
 H4 C02Q HN 109.5 . . ?
 HM C02Q HN 109.5 . . ?
 C02P C02R C02X 120.0 . . ?
 C02P C02R B02W 121.5(11) . . ?
 C02X C02R B02W 118.4(11) . . ?
 C02R C02P H10 120.0 . . ?
 C22 C02P C02R 120.0 . . ?
 C22 C02P H10 120.0 . . ?
 C02P C22 H22 120.0 . . ?
 C02P C22 C02T 120.0 . . ?
 C02T C22 H22 120.0 . . ?
 C22 C02T H11 120.0 . . ?
 C22 C02T C28 120.0 . . ?
 C28 C02T H11 120.0 . . ?
 C02T C28 H28 120.0 . . ?
 C02X C28 C02T 120.0 . . ?
 C02X C28 H28 120.0 . . ?
 C02R C02X H12 120.0 . . ?
 C28 C02X C02R 120.0 . . ?
 C28 C02X H12 120.0 . . ?
 C02F C02S H13 109.5 . . ?
 C02F C02S HO 109.5 . . ?
 C02F C02S HP 109.5 . . ?
 H13 C02S HO 109.5 . . ?
 H13 C02S HP 109.5 . . ?
 HO C02S HP 109.5 . . ?
 C02L C02U H5 109.5 . . ?
 C02L C02U HQ 109.5 . . ?
 C02L C02U HR 109.5 . . ?
 H5 C02U HQ 109.5 . . ?
 H5 C02U HR 109.5 . . ?
 HQ C02U HR 109.5 . . ?
 C021 C02V H6 109.7 . . ?
 C021 C02V HS 109.7 . . ?
 C021 C02V HT 115.9 . . ?
 C021 C02V C1 109.6(18) . . ?
 H6 C02V HS 108.2 . . ?
 C1 C02V H6 109.7 . . ?
 C1 C02V HS 109.7 . . ?
 C27 C02V C021 128(2) . . ?
 C27 C02V HT 115.9 . . ?
 O01V B02W O01X 114.3(12) . . ?
 O01V B02W C02R 121.2(15) . . ?
 O01X B02W C02R 124.2(15) . . ?
 C02B C23 H23A 112.4 . . ?
 C02B C23 H23B 112.4 . . ?
 C02B C23 C26 96.6(15) . . ?
 H23A C23 H23B 110.0 . . ?
 C26 C23 H23A 112.4 . . ?
 C26 C23 H23B 112.4 . . ?
 C23 C26 H26A 109.5 . . ?
 C23 C26 H26B 109.5 . . ?
 C23 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C02O C16 H16C 109.0 . . ?
 C02O C16 H16D 109.0 . . ?
 C02O C16 H16A 108.3 . . ?
 C02O C16 H16B 108.3 . . ?
 C02O C16 C30 112.7(17) . . ?
 H16C C16 H16D 107.8 . . ?
 H16A C16 H16B 107.4 . . ?
 C30 C16 H16C 109.0 . . ?
 C30 C16 H16D 109.0 . . ?
 C31 C16 C02O 115.8(18) . . ?
 C31 C16 H16A 108.3 . . ?
 C31 C16 H16B 108.3 . . ?
 C02H C18 H18A 109.7 . . ?
 C02H C18 H18B 109.7 . . ?
 H18A C18 H18B 108.2 . . ?
 C20 C18 C02H 109.8(16) . . ?
 C20 C18 H18A 109.7 . . ?
 C20 C18 H18B 109.7 . . ?
 C18 C20 H20A 109.5 . . ?
 C18 C20 H20B 109.5 . . ?
 C18 C20 H20C 109.5 . . ?
 H20A C20 H20B 109.5 . . ?
 H20A C20 H20C 109.5 . . ?
 H20B C20 H20C 109.5 . . ?
 C02V C1 H1A 109.5 . . ?
 C02V C1 H1B 109.5 . . ?
 C02V C1 H1C 109.5 . . ?
 H1A C1 H1B 109.5 . . ?
 H1A C1 H1C 109.5 . . ?
 H1B C1 H1C 109.5 . . ?
 C02V C27 H27A 109.5 . . ?
 C02V C27 H27B 109.5 . . ?
 C02V C27 H27C 109.5 . . ?
 H27A C27 H27B 109.5 . . ?
 H27A C27 H27C 109.5 . . ?
 H27B C27 H27C 109.5 . . ?
 C16 C30 H30A 109.5 . . ?
 C16 C30 H30B 109.5 . . ?
 C16 C30 H30C 109.5 . . ?
 H30A C30 H30B 109.5 . . ?
 H30A C30 H30C 109.5 . . ?
 H30B C30 H30C 109.5 . . ?
 C16 C31 H31A 109.5 . . ?
 C16 C31 H31B 109.5 . . ?
 C16 C31 H31C 109.5 . . ?
 H31A C31 H31B 109.5 . . ?
 H31A C31 H31C 109.5 . . ?
 H31B C31 H31C 109.5 . . ?

loop_
  _geom_torsion_atom_site_label_1
  _geom_torsion_atom_site_label_2
  _geom_torsion_atom_site_label_3
  _geom_torsion_atom_site_label_4
  _geom_torsion
  _geom_torsion_site_symmetry_1
  _geom_torsion_site_symmetry_2
  _geom_torsion_site_symmetry_3
  _geom_torsion_site_symmetry_4
  _geom_torsion_publ_flag
 Pb01 Al2 O0L Al5 -36.5(3) 4_565 . . . ?
 Pb01 Al2 O0L Al7 139.79(14) 4_565 . . 3_655 ?
 Pb01 Al2 O0P Al1 164.17(17) 4_565 . . . ?
 Pb01 Al2 O0P Al7 -92.1(3) 4_565 . . 3_655 ?
 Pb01 Al2 O00T Al3 24.93(17) 4_565 . . . ?
 Pb01 Al2 O00T Al4 -153.4(2) 4_565 . . . ?
 Pb01 Al2 O00X C01B -170.1(6) 4_565 . . . ?
 Pb01 Al3 O0Q C016 -169.8(6) 4_565 . . . ?
 Pb01 Al3 O00T Al2 -25.78(17) 4_565 . . . ?
 Pb01 Al3 O00T Al4 152.6(2) 4_565 . . . ?
 Pb01 O0Q C016 C02A 50.9(8) 4_565 . . . ?
 Pb01 O0Q C016 C02N -72.1(8) 4_565 . . . ?
 Pb01 O00V C01I C02I 48.7(8) . . . . ?
 Pb01 O00V C01I C02K -73.1(7) . . . . ?
 Pb01 O00X C01B C01W 109.0(7) 4_565 . . . ?
 Pb01 O00X C01B C020 -19.4(9) 4_565 . . . ?
 Pb01 O010 C01G O00Z 25(2) 4_565 . . . ?
 Pb01 O010 C01G C01U -154.1(11) 4_565 . . . ?
 Pb02 O0R C01D C01K 97.6(6) . . . . ?
 Pb02 O0R C01D C01P -25.7(8) . . . . ?
 Pb03 O00Y C01R C024 33.3(9) . . . . ?
 Pb03 O00Y C01R C027 -90.6(8) . . . . ?
 Al00 O0R C01D C01K -70.1(7) . . . . ?
 Al00 O0R C01D C01P 166.6(5) . . . . ?
 Al1 O00V C01I C02I -134.2(6) . . . . ?
 Al1 O00V C01I C02K 104.0(7) . . . . ?
 Al2 O00X C01B C01W -83.2(8) . . . . ?
 Al2 O00X C01B C020 148.4(6) . . . . ?
 Al3 Al1 O0H Al4 176.8(4) 3_655 . . . ?
 Al3 Al1 O0P Al2 -42.2(5) 3_655 . . . ?
 Al3 Al1 O0P Al7 -145.99(14) 3_655 . . 3_655 ?
 Al3 Al1 O00V Pb01 45.71(13) 3_655 . . . ?
 Al3 Al1 O00V C01I -132.0(4) 3_655 . . . ?
 Al3 O0Q C016 C02A -141.5(7) . . . . ?
 Al3 O0Q C016 C02N 95.5(8) . . . . ?
 Al4 O0J C012 O00U -10.9(9) . . . . ?
 Al4 O0J C012 C017 169.8(4) . . . . ?
 Al5 O00Z C01G O010 -27.1(10) . . . . ?
 Al5 O00Z C01G C01U 151.8(4) . . . . ?
 Al6 O00Y C01R C024 -165.8(5) . . . . ?
 Al6 O00Y C01R C027 70.4(9) . . . . ?
 Al7 Al1 O0H Al3 150.51(13) 3_655 . . 3_655 ?
 Al7 Al1 O0H Al4 -32.7(4) 3_655 . . . ?
 Al7 Al1 O0P Al2 103.8(4) 3_655 . . . ?
 Al7 Al1 O00V Pb01 -129.97(11) 3_655 . . . ?
 Al7 Al1 O00V C01I 52.3(5) 3_655 . . . ?
 Al7 Al2 O0L Al5 -176.3(4) 3_655 . . . ?
 Al7 Al2 O0P Al1 -103.7(4) 3_655 . . . ?
 Al7 Al2 O00T Al3 -149.45(13) 3_655 . . . ?
 Al7 Al2 O00T Al4 32.2(4) 3_655 . . . ?
 Al7 Al2 O00X Pb01 128.02(12) 3_655 . . 4_565 ?
 Al7 Al2 O00X C01B -42.1(6) 3_655 . . . ?
 Al7 O0N C019 O014 -11.3(11) . . . . ?
 Al7 O0N C019 C018 168.6(4) . . . . ?
 S00C N01C C021 C02V -126.4(11) . . . . ?
 S00C N01C C028 C02J 109.7(11) . . . . ?
 S00D N01T C02H C18 98.2(13) . . . . ?
 S00D N01T C02O C16 -130.0(13) . . . . ?
 O0F Al1 O0H Al3 11.12(18) . . . 3_655 ?
 O0F Al1 O0H Al4 -172.1(3) . . . . ?
 O0F Al1 O00V Pb01 3.76(16) . . . . ?
 O0F Al1 O00V C01I -174.0(5) . . . . ?
 O0F Al2 O0L Al5 2.2(3) 4_565 . . . ?
 O0F Al2 O0L Al7 178.53(18) 4_565 . . 3_655 ?
 O0F Al2 O0P Al1 -39.7(12) 4_565 . . . ?
 O0F Al2 O0P Al7 64.0(10) 4_565 . . 3_655 ?
 O0F Al2 O00T Al3 -10.89(18) 4_565 . . . ?
 O0F Al2 O00T Al4 170.8(3) 4_565 . . . ?
 O0F Al2 O00X Pb01 -4.75(16) 4_565 . . 4_565 ?
 O0F Al2 O00X C01B -174.9(5) 4_565 . . . ?
 O0F Al3 O0Q Pb01 0.61(17) 4_565 . . 4_565 ?
 O0F Al3 O0Q C016 -169.2(5) 4_565 . . . ?
 O0F Al3 O00T Al2 10.85(18) 4_565 . . . ?
 O0F Al3 O00T Al4 -170.8(3) 4_565 . . . ?
 O0G Al5 O0L Al2 -147.5(3) . . . . ?
 O0G Al5 O0L Al7 37.2(3) . . . 3_655 ?
 O0G Al5 O00S Al1 144.3(3) . . . 4_565 ?
 O0G Al5 O00S Al7 -32.4(4) . . . . ?
 O0G Al5 O00Z C01G -163.2(5) . . . . ?
 O0G Al6 O0G Al5 96.4(3) 3_655 . . . ?
 O0G Al6 O0G Al6 -94.9(2) 3_655 . . 4_565 ?
 O0G Al6 O00W Al7 59.6(3) . . . 3_655 ?
 O0G Al6 O00W Al7 -61.5(3) 3_655 . . 3_655 ?
 O0G Al6 O00Y Pb03 78.8(2) 3_655 . . . ?
 O0G Al6 O00Y Pb03 -78.1(2) . . . . ?
 O0G Al6 O00Y C01R 118.2(6) . . . . ?
 O0G Al6 O00Y C01R -84.9(6) 3_655 . . . ?
 O0H Al1 O0P Al2 -41.0(4) . . . . ?
 O0H Al1 O0P Al7 -144.82(17) . . . 3_655 ?
 O0H Al1 O00V Pb01 82.58(19) . . . . ?
 O0H Al1 O00V C01I -95.1(5) . . . . ?
 O0H Al3 O0Q Pb01 -79.5(2) 4_565 . . 4_565 ?
 O0H Al3 O0Q C016 110.7(5) 4_565 . . . ?
 O0H Al3 O00T Al2 86.3(2) 4_565 . . . ?
 O0H Al3 O00T Al4 -95.3(3) 4_565 . . . ?
 O0H Al4 O0I Al00 33.1(3) . . . . ?
 O0H Al4 O0I Al00 -154.0(2) . . . 4_565 ?
 O0H Al4 O0J C012 -54.4(5) . . . . ?
 O0H Al4 O00T Al2 -27.2(3) . . . . ?
 O0H Al4 O00T Al3 154.9(3) . . . . ?
 O0I Al00 O0I Al00 91.9(2) 3_655 . . 4_565 ?
 O0I Al00 O0I Al4 -93.8(3) 3_655 . . . ?
 O0I Al00 O00M Al3 61.1(3) 3_655 . . 3_655 ?
 O0I Al00 O00M Al3 -64.3(3) . . . 3_655 ?
 O0I Al00 O0R Pb02 -79.3(2) 3_655 . . . ?
 O0I Al00 O0R Pb02 78.9(2) . . . . ?
 O0I Al00 O0R C01D 90.5(5) 3_655 . . . ?
 O0I Al00 O0R C01D -111.3(5) . . . . ?
 O0I Al4 O0H Al1 147.9(3) . . . . ?
 O0I Al4 O0H Al3 -36.2(3) . . . 3_655 ?
 O0I Al4 O0J C012 66.7(5) . . . . ?
 O0I Al4 O00T Al2 -148.1(3) . . . . ?
 O0I Al4 O00T Al3 34.1(3) . . . . ?
 O0J Al4 O0H Al1 -90.7(3) . . . . ?
 O0J Al4 O0H Al3 85.3(3) . . . 3_655 ?
 O0J Al4 O0I Al00 84.7(3) . . . 4_565 ?
 O0J Al4 O0I Al00 -88.2(3) . . . . ?
 O0J Al4 O00T Al2 93.2(3) . . . . ?
 O0J Al4 O00T Al3 -84.7(3) . . . . ?
 O0J C012 C017 C01M 9.9(7) . . . . ?
 O0J C012 C017 C01A -172.5(4) . . . . ?
 O0K Al6 O0G Al5 172.6(3) . . . . ?
 O0K Al6 O0G Al6 -18.7(2) . . . 4_565 ?
 O0K Al6 O00Y Pb03 0.33(14) . . . . ?
 O0K Al6 O00Y C01R -163.4(6) . . . . ?
 O0L Al2 O0P Al1 -94.2(4) . . . . ?
 O0L Al2 O0P Al7 9.55(17) . . . 3_655 ?
 O0L Al2 O00T Al3 -93.1(3) . . . . ?
 O0L Al2 O00T Al4 88.6(4) . . . . ?
 O0L Al2 O00X Pb01 84.6(2) . . . 4_565 ?
 O0L Al2 O00X C01B -85.5(6) . . . . ?
 O0L Al5 O0G Al6 158.0(3) . . . 4_565 ?
 O0L Al5 O0G Al6 -35.9(3) . . . . ?
 O0L Al5 O00S Al1 22.1(4) . . . 4_565 ?
 O0L Al5 O00S Al7 -154.5(3) . . . . ?
 O0L Al5 O00Z C01G -47.4(6) . . . . ?
 O0L Al7 O0N C019 -83.7(6) 4_565 . . . ?
 O0L Al7 O00S Al1 -85.0(2) 4_565 . . 4_565 ?
 O0L Al7 O00S Al5 92.5(3) 4_565 . . . ?
 O00M Al00 O0I Al00 -168.29(18) . . . 4_565 ?
 O00M Al00 O0I Al4 6.0(3) . . . . ?
 O00M Al00 O0R Pb02 179.42(17) . . . . ?
 O00M Al00 O0R C01D -10.8(5) . . . . ?
 O00M Al3 O0Q Pb01 -178.56(16) 4_565 . . 4_565 ?
 O00M Al3 O0Q C016 11.6(5) 4_565 . . . ?
 O00M Al3 O00T Al2 -176.15(18) 4_565 . . . ?
 O00M Al3 O00T Al4 2.2(3) 4_565 . . . ?
 O0N Al7 O00S Al1 82.9(2) . . . 4_565 ?
 O0N Al7 O00S Al5 -99.6(3) . . . . ?
 O0N C019 C018 C01Q -171.7(4) . . . . ?
 O0N C019 C018 C01F 5.3(8) . . . . ?
 O0O Al00 O0I Al00 17.0(2) . . . 4_565 ?
 O0O Al00 O0I Al00 17.0(2) 3_655 . . 4_565 ?
 O0O Al00 O0I Al00 17.0(2) 2_665 . . 4_565 ?
 O0O Al00 O0I Al00 17.0(2) 4_565 . . 4_565 ?
 O0O Al00 O0I Al4 -168.8(3) . . . . ?
 O0O Al00 O0I Al4 -168.8(3) 4_565 . . . ?
 O0O Al00 O0I Al4 -168.8(3) 3_655 . . . ?
 O0O Al00 O0I Al4 -168.8(3) 2_665 . . . ?
 O0O Al00 O0R Pb02 -0.12(13) 4_565 . . . ?
 O0O Al00 O0R Pb02 -0.12(13) 2_665 . . . ?
 O0O Al00 O0R Pb02 -0.12(13) 3_655 . . . ?
 O0O Al00 O0R Pb02 -0.12(13) . . . . ?
 O0O Al00 O0R C01D 169.7(5) 3_655 . . . ?
 O0O Al00 O0R C01D 169.7(5) 4_565 . . . ?
 O0O Al00 O0R C01D 169.7(5) 2_665 . . . ?
 O0O Al00 O0R C01D 169.7(5) . . . . ?
 O0P Al1 O0H Al3 -178.70(18) . . . 3_655 ?
 O0P Al1 O0H Al4 -1.9(3) . . . . ?
 O0P Al1 O00V Pb01 -174.60(16) . . . . ?
 O0P Al1 O00V C01I 7.7(5) . . . . ?
 O0P Al2 O0L Al5 173.7(3) . . . . ?
 O0P Al2 O0L Al7 -10.02(18) . . . 3_655 ?
 O0P Al2 O00T Al3 179.62(18) . . . . ?
 O0P Al2 O00T Al4 1.3(3) . . . . ?
 O0P Al2 O00X Pb01 172.80(16) . . . 4_565 ?
 O0P Al2 O00X C01B 2.7(6) . . . . ?
 O0P Al7 O0N C019 -167.5(6) 4_565 . . . ?
 O0P Al7 O00S Al1 -7.83(18) 4_565 . . 4_565 ?
 O0P Al7 O00S Al5 169.7(3) 4_565 . . . ?
 O0Q Al3 O00T Al2 -73.7(2) . . . . ?
 O0Q Al3 O00T Al4 104.7(3) . . . . ?
 O0R Al00 O0I Al00 -64.2(2) . . . 4_565 ?
 O0R Al00 O0I Al4 110.1(3) . . . . ?
 O0R Al00 O00M Al3 178.4(3) . . . 3_655 ?
 O00S Al1 O0H Al3 93.7(3) 3_655 . . 3_655 ?
 O00S Al1 O0H Al4 -89.5(4) 3_655 . . . ?
 O00S Al1 O0P Al2 96.1(4) 3_655 . . . ?
 O00S Al1 O0P Al7 -7.67(17) 3_655 . . 3_655 ?
 O00S Al1 O00V Pb01 -86.65(19) 3_655 . . . ?
 O00S Al1 O00V C01I 95.6(5) 3_655 . . . ?
 O00S Al5 O0G Al6 33.7(3) . . . 4_565 ?
 O00S Al5 O0G Al6 -160.2(2) . . . . ?
 O00S Al5 O0L Al2 -25.2(4) . . . . ?
 O00S Al5 O0L Al7 159.5(3) . . . 3_655 ?
 O00S Al5 O00Z C01G 77.8(6) . . . . ?
 O00S Al7 O0N C019 107.9(6) . . . . ?
 O00T Al2 O0L Al5 80.5(4) . . . . ?
 O00T Al2 O0L Al7 -103.2(3) . . . 3_655 ?
 O00T Al2 O0P Al1 41.3(4) . . . . ?
 O00T Al2 O0P Al7 145.05(17) . . . 3_655 ?
 O00T Al2 O00X Pb01 -84.01(19) . . . 4_565 ?
 O00T Al2 O00X C01B 105.9(5) . . . . ?
 O00T Al3 O0Q Pb01 81.3(2) . . . 4_565 ?
 O00T Al3 O0Q C016 -88.5(5) . . . . ?
 O00T Al4 O0H Al1 27.8(3) . . . . ?
 O00T Al4 O0H Al3 -156.3(2) . . . 3_655 ?
 O00T Al4 O0I Al00 155.3(2) . . . . ?
 O00T Al4 O0I Al00 -31.8(3) . . . 4_565 ?
 O00T Al4 O0J C012 -175.8(5) . . . . ?
 O00U C012 C017 C01M -169.4(5) . . . . ?
 O00U C012 C017 C01A 8.2(7) . . . . ?
 O00V Al1 O0H Al3 -71.3(2) . . . 3_655 ?
 O00V Al1 O0H Al4 105.5(3) . . . . ?
 O00V Al1 O0P Al2 -154.5(3) . . . . ?
 O00V Al1 O0P Al7 101.67(18) . . . 3_655 ?
 O00W Al6 O0G Al5 -2.1(3) . . . . ?
 O00W Al6 O0G Al6 166.64(19) . . . 4_565 ?
 O00W Al6 O00Y Pb03 179.89(18) . . . . ?
 O00W Al6 O00Y C01R 16.2(6) . . . . ?
 O00W Al7 O0N C019 12.8(6) 4_565 . . . ?
 O00W Al7 O00S Al1 177.87(18) 4_565 . . 4_565 ?
 O00W Al7 O00S Al5 -4.6(3) 4_565 . . . ?
 O00X Al2 O0L Al5 -84.0(3) . . . . ?
 O00X Al2 O0L Al7 92.3(2) . . . 3_655 ?
 O00X Al2 O0P Al1 153.8(3) . . . . ?
 O00X Al2 O0P Al7 -102.50(19) . . . 3_655 ?
 O00X Al2 O00T Al3 71.8(2) . . . . ?
 O00X Al2 O00T Al4 -106.5(3) . . . . ?
 O00Y Al6 O0G Al5 -107.4(3) . . . . ?
 O00Y Al6 O0G Al6 61.4(3) . . . 4_565 ?
 O00Y Al6 O00W Al7 179.5(3) . . . 3_655 ?
 O00Z Al5 O0G Al6 78.4(3) . . . . ?
 O00Z Al5 O0G Al6 -87.7(3) . . . 4_565 ?
 O00Z Al5 O0L Al2 100.2(3) . . . . ?
 O00Z Al5 O0L Al7 -75.2(3) . . . 3_655 ?
 O00Z Al5 O00S Al1 -99.9(3) . . . 4_565 ?
 O00Z Al5 O00S Al7 83.4(3) . . . . ?
 O00Z C01G C01U C01Y -4.6(8) . . . . ?
 O00Z C01G C01U C022 176.8(5) . . . . ?
 O010 C01G C01U C01Y 174.4(6) . . . . ?
 O010 C01G C01U C022 -4.2(9) . . . . ?
 O011 S00C N01C C021 162.4(7) . . . . ?
 O011 S00C N01C C028 -41.7(7) . . . . ?
 O011 S00C C01L C01O -162.8(4) . . . . ?
 O011 S00C C01L C01J 21.7(4) . . . . ?
 C012 C017 C01A C01J -177.6(5) . . . . ?
 O013 S00C N01C C021 31.0(8) . . . . ?
 O013 S00C N01C C028 -173.1(6) . . . . ?
 O013 S00C C01L C01O -32.8(4) . . . . ?
 O013 S00C C01L C01J 151.6(4) . . . . ?
 O014 C019 C018 C01Q 8.1(9) . . . . ?
 O014 C019 C018 C01F -174.9(6) . . . . ?
 O015 S00D N01T C02H -46.1(9) . . . . ?
 O015 S00D N01T C02O 170.6(9) . . . . ?
 O015 S00D C01N C023 -168.0(4) . . . . ?
 O015 S00D C01N C01H 16.2(4) . . . . ?
 C019 C018 C01F C01H -176.9(5) . . . . ?
 N01C S00C C01L C01O 81.6(4) . . . . ?
 N01C S00C C01L C01J -94.0(4) . . . . ?
 N01C C021 C02V C1 158.8(14) . . . . ?
 N01C C021 C02V C27 48(3) . . . . ?
 N01C C028 C02J C02Q -174.8(11) . . . . ?
 O01E S00D N01T C02H -175.5(9) . . . . ?
 O01E S00D N01T C02O 41.2(10) . . . . ?
 O01E S00D C01N C023 -39.5(4) . . . . ?
 O01E S00D C01N C01H 144.7(4) . . . . ?
 C01G C01U C022 C029 178.6(6) . . . . ?
 C01O C01M C017 C012 177.6(5) . . . . ?
 C01O C01M C017 C01A 0.0 . . . . ?
 C01M C01O C01L S00C -175.5(4) . . . . ?
 C01M C01O C01L C01J 0.0 . . . . ?
 C01M C017 C01A C01J 0.0 . . . . ?
 C017 C01A C01J C01L 0.0 . . . . ?
 C01A C01J C01L S00C 175.5(4) . . . . ?
 C01A C01J C01L C01O 0.0 . . . . ?
 C01L S00C N01C C021 -83.0(7) . . . . ?
 C01L S00C N01C C028 72.9(6) . . . . ?
 C01L C01O C01M C017 0.0 . . . . ?
 N01S C02B C23 C26 174.4(15) . . . . ?
 N01T S00D C01N C023 76.9(6) . . . . ?
 N01T S00D C01N C01H -98.9(6) . . . . ?
 N01T C02H C18 C20 178.3(15) . . . . ?
 N01T C02O C16 C30 71(2) . . . . ?
 N01T C02O C16 C31 -176(2) . . . . ?
 O01X C02F C02G O01V -30.8(10) . . . . ?
 O01X C02F C02G C02C -147.3(10) . . . . ?
 O01X C02F C02G C02E 83.3(11) . . . . ?
 C01Y C01U C022 C029 0.0 . . . . ?
 C01U C01Y C026 C025 0.0 . . . . ?
 C01U C022 C029 C025 0.0 . . . . ?
 C022 C029 C025 C026 0.0 . . . . ?
 C022 C029 C025 S01Z 176.6(5) . . . . ?
 C029 C025 C026 C01Y 0.0 . . . . ?
 C029 C025 S01Z N01S -91.7(7) . . . . ?
 C029 C025 S01Z O6 20.7(7) . . . . ?
 C029 C025 S01Z O8 153.6(7) . . . . ?
 C026 C01Y C01U C01G -178.6(6) . . . . ?
 C026 C01Y C01U C022 0.0 . . . . ?
 C026 C025 S01Z N01S 85.0(8) . . . . ?
 C026 C025 S01Z O6 -162.5(6) . . . . ?
 C026 C025 S01Z O8 -29.7(7) . . . . ?
 S01Z N01S C02B C23 105.6(13) . . . . ?
 S01Z N01S C02M C02L -128.0(13) . . . . ?
 S01Z C025 C026 C01Y -176.8(5) . . . . ?
 C021 N01C C028 C02J -93.7(13) . . . . ?
 C023 C01Q C018 C019 177.0(5) . . . . ?
 C023 C01Q C018 C01F 0.0 . . . . ?
 C01Q C023 C01N S00D -175.8(4) . . . . ?
 C01Q C023 C01N C01H 0.0 . . . . ?
 C01Q C018 C01F C01H 0.0 . . . . ?
 C018 C01F C01H C01N 0.0 . . . . ?
 C01F C01H C01N S00D 175.8(4) . . . . ?
 C01F C01H C01N C023 0.0 . . . . ?
 C01N S00D N01T C02H 69.0(9) . . . . ?
 C01N S00D N01T C02O -74.3(10) . . . . ?
 C01N C023 C01Q C018 0.0 . . . . ?
 C028 N01C C021 C02V 77.8(13) . . . . ?
 C02B N01S S01Z C025 70.4(12) . . . . ?
 C02B N01S S01Z O6 -40.9(12) . . . . ?
 C02B N01S S01Z O8 -174.0(11) . . . . ?
 C02B N01S C02M C02L 88.5(17) . . . . ?
 C02D C02F C02G O01V 84.2(12) . . . . ?
 C02D C02F C02G C02C -32.3(15) . . . . ?
 C02D C02F C02G C02E -161.7(11) . . . . ?
 C02F O01X B02W O01V -8.6(14) . . . . ?
 C02F O01X B02W C02R 165.9(11) . . . . ?
 C02G O01V B02W O01X -12.6(14) . . . . ?
 C02G O01V B02W C02R 172.7(10) . . . . ?
 C02H N01T C02O C16 86.4(17) . . . . ?
 C02M N01S S01Z C025 -74.0(11) . . . . ?
 C02M N01S S01Z O6 174.6(10) . . . . ?
 C02M N01S S01Z O8 41.5(11) . . . . ?
 C02M N01S C02B C23 -112.3(15) . . . . ?
 C02O N01T C02H C18 -116.6(13) . . . . ?
 C02R C02P C22 C02T 0.0 . . . . ?
 C02P C02R C02X C28 0.0 . . . . ?
 C02P C02R B02W O01V -0.5(16) . . . . ?
 C02P C02R B02W O01X -174.7(10) . . . . ?
 C02P C22 C02T C28 0.0 . . . . ?
 C22 C02T C28 C02X 0.0 . . . . ?
 C02T C28 C02X C02R 0.0 . . . . ?
 C02X C02R C02P C22 0.0 . . . . ?
 C02X C02R B02W O01V 175.3(9) . . . . ?
 C02X C02R B02W O01X 1.2(16) . . . . ?
 C02S C02F C02G O01V -149.8(10) . . . . ?
 C02S C02F C02G C02C 93.8(13) . . . . ?
 C02S C02F C02G C02E -35.6(15) . . . . ?
 C02U C02L C02M N01S -172.2(14) . . . . ?
 B02W O01V C02G C02C 145.7(10) . . . . ?
 B02W O01V C02G C02E -93.1(11) . . . . ?
 B02W O01V C02G C02F 26.2(11) . . . . ?
 B02W O01X C02F C02D -96.7(12) . . . . ?
 B02W O01X C02F C02G 23.9(12) . . . . ?
 B02W O01X C02F C02S 144.0(11) . . . . ?
 B02W C02R C02P C22 175.8(10) . . . . ?
 B02W C02R C02X C28 -175.9(10) . . . . ?

_smtbx_masks_special_details       ?
loop_
  _smtbx_masks_void_nr
  _smtbx_masks_void_average_x
  _smtbx_masks_void_average_y
  _smtbx_masks_void_average_z
  _smtbx_masks_void_volume
  _smtbx_masks_void_count_electrons
  _smtbx_masks_void_content
 1 -0.250 0.250 0.000 478.5 39.4 ?
 2 0.250 0.750 0.000 478.5 39.4 ?
 3 0.069 0.274 0.153 21.2 0.0 ?
 4 0.226 0.069 0.153 21.2 0.4 ?
 5 0.250 0.250 0.616 87.4 27.5 ?
 6 0.250 0.750 0.500 35.8 0.0 ?
 7 0.274 0.431 0.153 21.2 0.4 ?
 8 0.431 0.226 0.153 21.2 0.9 ?
 9 0.569 0.774 0.847 21.2 0.0 ?
 10 0.726 0.569 0.847 21.2 0.0 ?
 11 0.750 0.750 0.384 87.4 27.4 ?
 12 0.750 0.250 0.500 35.8 0.0 ?
 13 0.774 0.931 0.847 21.2 0.4 ?
 14 0.931 0.726 0.847 21.2 0.7 ?

_smtbx_masks_void_probe_radius     1.2
_smtbx_masks_void_truncation_radius  1.2
_olex2_submission_special_instructions  'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max  3.603
_oxdiff_exptl_absorpt_empirical_full_min  0.517
# start Validation Reply Form
_vrf_PLAT971_SAlOC-1@G9
;
PROBLEM:  Check Calcd Resid. Dens.  0.87Ang From Pb01            4.48 eA-3
RESPONSE: These alerts are generated because of residual density peaks 
near the heaviest atoms in the structure, due to fourier termination ripples. 
After inspection, the residual electron density peak does not make chemical 
sense and will not affect the correct identification of the structure.
;
_vrf_PLAT973_SAlOC-1@G9
;
PROBLEM:  Check Calcd Positive Resid. Density on      Pb02       2.50 eA-3
RESPONSE: These alerts are generated because of residual density peaks 
near the heaviest atoms in the structure, due to fourier termination ripples. 
After inspection, the residual electron density peak does not make chemical 
sense and will not affect the correct identification of the structure.
;
# end Validation Reply Form
