data_Al12Pb4
_audit_creation_date               2024-08-02
_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           'C72 H102 Al12 O36 Pb4, 2(N O3)'
_chemical_formula_sum              'C72 H102 Al12 N2 O42 Pb4'
_chemical_formula_weight           2820.07
_chemical_melting_point            ?
_chemical_oxdiff_formula           'Al C N O Pb'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0137 0.0067 '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' 0.1771 0.1873 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'N' 'N' 0.0241 0.0134 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0389 0.0241 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Pb' 'Pb' -4.4950 6.8412
 '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        'monoclinic'
_space_group_IT_number             15
_space_group_name_H-M_alt          'C 1 2/c 1'
_space_group_name_Hall             '-C 2yc'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'

_cell_length_a                     23.5670(2)
_cell_length_b                     18.75520(10)
_cell_length_c                     24.73990(10)
_cell_angle_alpha                  90
_cell_angle_beta                   107.2350(10)
_cell_angle_gamma                  90
_cell_volume                       10444.12(13)
_cell_formula_units_Z              4
_cell_measurement_reflns_used      45247
_cell_measurement_temperature      100.00(10)
_cell_measurement_theta_max        59.8670
_cell_measurement_theta_min        2.6570
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      9.355
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    1.00000
_exptl_absorpt_correction_type     sphere
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
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      1.793
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         sphere
_exptl_crystal_F_000               5472
_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    0.0292
_diffrn_reflns_av_unetI/netI       0.0162
_diffrn_reflns_Laue_measured_fraction_full  0.996
_diffrn_reflns_Laue_measured_fraction_max  0.996
_diffrn_reflns_limit_h_max         27
_diffrn_reflns_limit_h_min         -27
_diffrn_reflns_limit_k_max         22
_diffrn_reflns_limit_k_min         -22
_diffrn_reflns_limit_l_max         29
_diffrn_reflns_limit_l_min         -22
_diffrn_reflns_number              48446
_diffrn_reflns_point_group_measured_fraction_full  0.996
_diffrn_reflns_point_group_measured_fraction_max  0.996
_diffrn_reflns_theta_full          52.048
_diffrn_reflns_theta_max           52.048
_diffrn_reflns_theta_min           2.666
_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  0.996
_diffrn_measured_fraction_theta_max  0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω     56.00  82.00   0.50    0.25    --   75.67  32.00 -56.00   52
  2  ω     50.00  99.00   0.50    0.25    --   75.67  77.00-180.00   98
  3  ω    106.00 141.00   0.50    0.25    --   75.67  77.00-180.00   70
  4  ω     99.00 154.00   0.50    0.25    --   75.67  32.00 -56.00  110
  5  ω     81.00 146.00   0.50    0.25    --   75.67 125.00 150.00  130
  6  ω      2.00  41.00   0.50    0.25    --   75.67 -57.00  60.00   78
  7  ω     -3.00  69.00   0.50    0.25    --   75.67 -32.00 145.00  144
  8  ω     63.00  88.00   0.50    0.25    --   75.67-125.00 -60.00   50
  9  ω     59.00 108.00   0.50    0.25    --   75.67-125.00 -90.00   98
 10  ω     30.00 111.00   0.50    0.25    --   75.67-125.00-180.00  162
 11  ω     -1.00  64.00   0.50    0.25    --   75.67 -38.00-150.00  130
 12  ω   -157.00-113.00   0.50    0.25    --  -77.54 -32.00 145.00   88
 13  ω    -72.00  -4.00   0.50    0.05    --   -0.94 -32.00 145.00  136
 14  ω   -104.00 -24.00   0.50    0.25    --  -77.54 125.00  60.00  160
 15  ω   -111.00 -30.00   0.50    0.25    --  -77.54 125.00   0.00  162
 16  ω    -74.00 -18.00   0.50    0.25    --  -77.54  77.00 -30.00  112
 17  ω    -82.00 -14.00   0.50    0.25    --  -77.54  77.00   0.00  136
 18  ω   -104.00 -78.00   0.50    0.25    --  -77.54  77.00 -30.00   52
 19  ω    -87.00 -61.00   0.50    0.25    --  -77.54  77.00 120.00   52
 20  ω     -2.00  71.00   0.50    0.05    --   -0.94  32.00 -56.00  146
 21  ω    -67.00   1.00   0.50    0.25    --  -77.54  32.00 -56.00  136
 22  ω     -7.00  33.00   0.50    0.05    --   -0.94 -99.00-180.00   80
 23  ω      0.00  27.00   0.50    0.05    --   -0.94 -99.00  90.00   54
 24  ω   -151.00 -92.00   0.50    0.25    --  -77.54 -99.00  30.00  118
 25  ω   -127.00 -89.00   0.50    0.25    --  -77.54-125.00 -60.00   76
;
_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        -0.0438903000
_diffrn_orient_matrix_UB_12        0.0287827000
_diffrn_orient_matrix_UB_13        0.0169410000
_diffrn_orient_matrix_UB_21        -0.0129127000
_diffrn_orient_matrix_UB_22        -0.0643460000
_diffrn_orient_matrix_UB_23        0.0166451000
_diffrn_orient_matrix_UB_31        0.0380212000
_diffrn_orient_matrix_UB_32        0.0113873000
_diffrn_orient_matrix_UB_33        0.0514662000
_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                  8570
_reflns_number_total               8884
_reflns_odcompleteness_completeness  99.76
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       56.82
_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 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection         'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction          'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_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           2.985
_refine_diff_density_min           -1.728
_refine_diff_density_rms           0.122
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.027
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       632
_refine_ls_number_reflns           8884
_refine_ls_number_restraints       314
_refine_ls_R_factor_all            0.0341
_refine_ls_R_factor_gt             0.0332
_refine_ls_restrained_S_all        1.042
_refine_ls_shift/su_max            0.002
_refine_ls_shift/su_mean           0.000
_refine_ls_structure_factor_coef   Fsqd
_refine_ls_weighting_details      
 'w=1/[σ²(Fo²)+(0.0380P)²+126.2586P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.0826
_refine_ls_wR_factor_ref           0.0832
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All O(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Rigid bond restraints
 C13, C15, C32, C2, C9, C17, C14, C33, C16, C30, C18, C19, C10, C5, C29, C27,
 C20, C38, C6, C12, C36, C4, C11, C21, C8, C34, C28, C37, C35, C31, C1, C7, C3,
 C26, C24, C25, C23, C22
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
 O18, O11, O13, O5, O4, O14, O12, O6, O7, O10, O21, O15, O19, O20, O16, O17,
 O8, O2, O1, O3, O9
 with sigma for 1-2 distances of 0.01 and sigma for 1-3 distances of 0.02
3. Uiso/Uaniso restraints and constraints
C13 \\sim C15 \\sim C32 \\sim C2 \\sim C9 \\sim C17 \\sim C14 \\sim C33 \\sim
C16 \\sim C30 \\sim C18 \\sim C19 \\sim C10 \\sim C5 \\sim C29 \\sim C27 \\sim
C20 \\sim C38 \\sim C6 \\sim C12 \\sim C36 \\sim C4 \\sim C11 \\sim C21 \\sim
C8 \\sim C34 \\sim C28 \\sim C37 \\sim C35 \\sim C31 \\sim C1 \\sim C7 \\sim C3
\\sim C26 \\sim C24 \\sim C25 \\sim C23 \\sim C22: within 2A with sigma of 0.01
and sigma for terminal atoms of 0.02 within 2A
O18 \\sim O11 \\sim O13 \\sim O5 \\sim O4 \\sim O14 \\sim O12 \\sim O6 \\sim O7
\\sim O10 \\sim O21 \\sim O15 \\sim O19 \\sim O20 \\sim O16 \\sim O17 \\sim O8
\\sim O2 \\sim O1 \\sim O3 \\sim O9: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
Uanis(O3) \\sim Ueq, Uanis(O22) \\sim Ueq, Uanis(O9) \\sim Ueq: with sigma of
0.01 and sigma for terminal atoms of 0.02
4. Others
 Fixed Sof: O9(0.5) H21A(0.5) H21(0.5) C24(0.5) H24(0.5) C25(0.5) H25(0.5)
 C23(0.5) H23(0.5) C22(0.5) H22(0.5) O22(0.5)
5.a Ternary CH refined with riding coordinates:
 C15(H15), C2(H2), C30(H30), C5(H5), C27(H27)
5.b Aromatic/amide H refined with riding coordinates:
 O4(H4), C19(H19), C10(H10), C20(H20), C38(H38), C12(H12), C36(H36), C11(H11),
 C21(H21A), C21(H21), C8(H8), C34(H34), C37(H37), C35(H35), C7(H7), C24(H24),
 C25(H25), C23(H23), C22(H22)
5.c Idealised Me refined as rotating group:
 C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C29(H29A,H29B,H29C), C6(H6A,H6B,
 H6C), C4(H4A,H4B,H4C), C28(H28A,H28B,H28C), C31(H31A,H31B,H31C), C1(H1A,H1B,
 H1C), C3(H3A,H3B,H3C), C26(H26A,H26B,H26C)
;
_atom_sites_solution_hydrogens     geom
_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
 Pb2 Pb 0.25158(2) 0.42075(2) 0.65784(2) 0.02439(7) Uani 1 1 d . . . . .
 Pb1 Pb 0.26664(2) 0.46517(2) 0.37696(2) 0.04081(8) Uani 1 1 d . . . . .
 Al4 Al 0.25655(6) 0.38670(7) 0.51299(5) 0.0214(3) Uani 1 1 d . . . . .
 Al6 Al 0.25779(6) 0.26713(7) 0.36288(5) 0.0222(3) Uani 1 1 d . . . . .
 Al3 Al 0.33488(6) 0.31700(7) 0.60329(5) 0.0216(3) Uani 1 1 d . . . . .
 Al2 Al 0.32565(7) 0.14842(7) 0.58835(6) 0.0253(3) Uani 1 1 d . . . . .
 Al1 Al 0.33461(6) 0.17061(7) 0.45140(6) 0.0228(3) Uani 1 1 d . . . . .
 Al5 Al 0.34147(7) 0.33886(7) 0.46525(6) 0.0248(3) Uani 1 1 d . . . . .
 O18 O 0.31907(14) 0.14486(16) 0.51484(13) 0.0234(7) Uani 1 1 d . . . . .
 O11 O 0.32866(14) 0.34354(16) 0.53281(12) 0.0219(7) Uani 1 1 d . . . . .
 O13 O 0.34960(14) 0.38504(18) 0.65578(13) 0.0250(7) Uani 1 1 d . . . . .
 O5 O 0.26238(16) 0.34585(17) 0.32609(13) 0.0268(7) Uani 1 1 d . . . . .
 O4 O 0.25463(15) 0.19495(17) 0.31639(13) 0.0255(7) Uani 1 1 d . . . . .
 H4 H 0.255552 0.204731 0.278986 0.031 Uiso 1 1 calc R U . . .
 O14 O 0.30817(14) 0.23112(16) 0.61705(12) 0.0223(7) Uani 1 1 d . . . . .
 O12 O 0.25082(14) 0.35324(16) 0.58206(12) 0.0210(6) Uani 1 1 d . . . . .
 O6 O 0.32007(14) 0.25943(16) 0.42388(12) 0.0224(7) Uani 1 1 d . . . . .
 O7 O 0.25967(16) 0.37648(17) 0.43895(13) 0.0262(7) Uani 1 1 d . . . . .
 O10 O 0.26266(15) 0.47991(17) 0.53336(14) 0.0282(7) Uani 1 1 d . . . . .
 O21 O 0.34849(15) 0.10538(18) 0.40517(14) 0.0274(7) Uani 1 1 d . . . . .
 O15 O 0.41453(16) 0.28583(19) 0.62396(15) 0.0327(8) Uani 1 1 d . . . . .
 O19 O 0.41545(16) 0.1890(2) 0.48778(15) 0.0366(9) Uani 1 1 d . . . . .
 O20 O 0.42025(16) 0.3077(2) 0.49643(15) 0.0338(8) Uani 1 1 d . . . . .
 O16 O 0.40765(17) 0.1679(2) 0.61366(15) 0.0372(9) Uani 1 1 d . . . . .
 O17 O 0.33407(19) 0.0667(2) 0.62632(15) 0.0380(9) Uani 1 1 d . . . . .
 O8 O 0.3624(2) 0.4149(2) 0.43325(16) 0.0418(10) Uani 1 1 d . . . . .
 O2 O 0.2271(2) 0.0875(2) 0.22052(17) 0.0526(12) Uani 1 1 d . . . . .
 O1 O 0.2285(2) 0.1240(2) 0.13793(16) 0.0484(11) Uani 1 1 d . . . . .
 N1 N 0.2380(2) 0.1348(2) 0.18940(19) 0.0406(11) Uani 1 1 d . . . . .
 O3 O 0.2596(3) 0.1926(2) 0.2103(2) 0.0747(17) Uani 1 1 d . U . . .
 C13 C 0.4362(2) 0.2238(3) 0.63228(19) 0.0299(11) Uani 1 1 d . U . . .
 C15 C 0.4053(2) 0.4176(3) 0.6852(2) 0.0318(11) Uani 1 1 d . U . . .
 H15 H 0.433831 0.379436 0.704260 0.038 Uiso 1 1 calc R U . . .
 C32 C 0.4437(2) 0.2471(3) 0.5023(2) 0.0330(12) Uani 1 1 d . U . . .
 C2 C 0.4028(3) 0.0827(4) 0.3966(3) 0.0519(16) Uani 1 1 d . U . . .
 H2 H 0.432399 0.122187 0.408913 0.062 Uiso 1 1 calc R U . . .
 C9 C 0.4992(3) 0.2160(3) 0.6664(2) 0.0381(12) Uani 1 1 d . U . . .
 C17 C 0.2698(4) 0.5372(3) 0.5087(3) 0.0604(19) Uani 1 1 d . U . . .
 C14 C 0.3962(3) 0.4678(4) 0.7301(3) 0.0456(15) Uani 1 1 d . U . . .
 H14A H 0.369605 0.506651 0.711826 0.068 Uiso 1 1 calc R U . . .
 H14B H 0.434611 0.487611 0.752036 0.068 Uiso 1 1 calc R U . . .
 H14C H 0.378587 0.441539 0.755361 0.068 Uiso 1 1 calc R U . . .
 C33 C 0.5087(3) 0.2431(3) 0.5282(2) 0.0411(12) Uani 1 1 d . U . . .
 C16 C 0.4302(3) 0.4561(3) 0.6434(3) 0.0440(14) Uani 1 1 d . U . . .
 H16A H 0.437863 0.421667 0.616613 0.066 Uiso 1 1 calc R U . . .
 H16B H 0.467443 0.479890 0.663844 0.066 Uiso 1 1 calc R U . . .
 H16C H 0.401520 0.491747 0.622741 0.066 Uiso 1 1 calc R U . . .
 C30 C 0.2774(3) 0.3472(3) 0.2735(3) 0.0474(15) Uani 1 1 d . U . . .
 H30 H 0.254838 0.307725 0.249351 0.057 Uiso 1 1 calc R U . . .
 C18 C 0.2831(4) 0.6043(3) 0.5409(3) 0.0625(16) Uani 1 1 d . U . . .
 C19 C 0.2758(4) 0.6128(4) 0.5917(3) 0.0638(18) Uani 1 1 d . U . . .
 H19 H 0.262754 0.573511 0.609187 0.077 Uiso 1 1 calc R U . . .
 C10 C 0.5331(3) 0.2733(4) 0.6902(3) 0.0569(17) Uani 1 1 d . U . . .
 H10 H 0.517288 0.320123 0.683226 0.068 Uiso 1 1 calc R U . . .
 C5 C 0.3862(3) 0.0234(4) 0.6483(3) 0.0561(17) Uani 1 1 d . U . . .
 H5 H 0.418045 0.053913 0.673283 0.067 Uiso 1 1 calc R U . . .
 C29 C 0.2566(5) 0.4159(4) 0.2427(3) 0.071(2) Uani 1 1 d . U . . .
 H29A H 0.217438 0.428334 0.246292 0.107 Uiso 1 1 calc R U . . .
 H29B H 0.253768 0.410281 0.202653 0.107 Uiso 1 1 calc R U . . .
 H29C H 0.284914 0.453987 0.259230 0.107 Uiso 1 1 calc R U . . .
 C27 C 0.4172(4) 0.4507(5) 0.4443(3) 0.077(3) Uani 1 1 d . U . . .
 H27 H 0.452291 0.418205 0.456987 0.092 Uiso 1 1 calc R U . . .
 C20 C 0.2866(5) 0.6777(4) 0.6198(3) 0.073(2) Uani 1 1 d . U . . .
 H20 H 0.279622 0.682194 0.655522 0.087 Uiso 1 1 calc R U . . .
 O9 O 0.2498(5) 0.5394(4) 0.4537(3) 0.044(2) Uani 0.5 1 d . U P A 1
 C38 C 0.5405(3) 0.3025(4) 0.5511(3) 0.0585(17) Uani 1 1 d . U . . .
 H38 H 0.520195 0.346564 0.549795 0.070 Uiso 1 1 calc R U . . .
 C6 C 0.3720(4) -0.0353(4) 0.6840(4) 0.074(2) Uani 1 1 d . U . . .
 H6A H 0.361365 -0.014266 0.715949 0.111 Uiso 1 1 calc R U . . .
 H6B H 0.406822 -0.066057 0.698244 0.111 Uiso 1 1 calc R U . . .
 H6C H 0.338572 -0.063553 0.660955 0.111 Uiso 1 1 calc R U . . .
 C12 C 0.6145(3) 0.1963(5) 0.7355(3) 0.071(2) Uani 1 1 d . U . . .
 H12 H 0.653968 0.189916 0.759395 0.085 Uiso 1 1 calc R U . . .
 C36 C 0.6301(3) 0.2395(5) 0.5780(4) 0.076(2) Uani 1 1 d . U . . .
 H36 H 0.671748 0.238092 0.595798 0.092 Uiso 1 1 calc R U . . .
 C4 C 0.4080(4) -0.0043(4) 0.6012(4) 0.069(2) Uani 1 1 d . U . . .
 H4A H 0.377653 -0.035198 0.576559 0.103 Uiso 1 1 calc R U . . .
 H4B H 0.444569 -0.031708 0.617144 0.103 Uiso 1 1 calc R U . . .
 H4C H 0.416065 0.035786 0.579204 0.103 Uiso 1 1 calc R U . . .
 C11 C 0.5913(3) 0.2629(5) 0.7248(4) 0.072(2) Uani 1 1 d . U . . .
 H11 H 0.614923 0.302935 0.740969 0.086 Uiso 1 1 calc R U . . .
 C21 C 0.3062(5) 0.7329(4) 0.5984(4) 0.084(2) Uani 1 1 d . U . . .
 H21A H 0.327872 0.770335 0.621214 0.101 Uiso 0.5 1 calc R U P B 2
 H21 H 0.296514 0.780572 0.605159 0.101 Uiso 0.5 1 calc R U P C 1
 C8 C 0.5236(3) 0.1480(4) 0.6774(4) 0.071(2) Uani 1 1 d . U . . .
 H8 H 0.500666 0.107621 0.660936 0.085 Uiso 1 1 calc R U . . .
 C34 C 0.5391(3) 0.1799(4) 0.5304(4) 0.076(2) Uani 1 1 d . U . . .
 H34 H 0.518199 0.137654 0.515246 0.092 Uiso 1 1 calc R U . . .
 C28 C 0.4180(4) 0.4960(5) 0.3947(4) 0.081(3) Uani 1 1 d . U . . .
 H28A H 0.417279 0.465336 0.362432 0.121 Uiso 1 1 calc R U . . .
 H28B H 0.454062 0.525193 0.404519 0.121 Uiso 1 1 calc R U . . .
 H28C H 0.382983 0.527136 0.384622 0.121 Uiso 1 1 calc R U . . .
 C37 C 0.6005(3) 0.3004(5) 0.5757(4) 0.072(2) Uani 1 1 d . U . . .
 H37 H 0.621310 0.342591 0.591311 0.086 Uiso 1 1 calc R U . . .
 C35 C 0.6000(4) 0.1778(5) 0.5544(5) 0.095(3) Uani 1 1 d . U . . .
 H35 H 0.621126 0.134631 0.554839 0.114 Uiso 1 1 calc R U . . .
 C31 C 0.3420(4) 0.3311(6) 0.2849(4) 0.087(3) Uani 1 1 d . U . . .
 H31A H 0.365590 0.368918 0.308445 0.130 Uiso 1 1 calc R U . . .
 H31B H 0.351479 0.328537 0.248943 0.130 Uiso 1 1 calc R U . . .
 H31C H 0.351183 0.285361 0.304653 0.130 Uiso 1 1 calc R U . . .
 C1 C 0.3931(4) 0.0700(7) 0.3346(4) 0.105(4) Uani 1 1 d . U . . .
 H1A H 0.368952 0.027044 0.322822 0.157 Uiso 1 1 calc R U . . .
 H1B H 0.431551 0.063676 0.327472 0.157 Uiso 1 1 calc R U . . .
 H1C H 0.372472 0.111061 0.312987 0.157 Uiso 1 1 calc R U . . .
 C7 C 0.5812(4) 0.1390(5) 0.7122(4) 0.084(2) Uani 1 1 d . U . . .
 H7 H 0.597463 0.092401 0.719635 0.101 Uiso 1 1 calc R U . . .
 C3 C 0.4254(5) 0.0199(6) 0.4331(6) 0.113(4) Uani 1 1 d . U . . .
 H3A H 0.427322 0.031171 0.472261 0.169 Uiso 1 1 calc R U . . .
 H3B H 0.465252 0.007694 0.431230 0.169 Uiso 1 1 calc R U . . .
 H3C H 0.398681 -0.020621 0.419863 0.169 Uiso 1 1 calc R U . . .
 C26 C 0.4153(6) 0.5105(7) 0.4907(5) 0.117(4) Uani 1 1 d . U . . .
 H26A H 0.381432 0.542336 0.475073 0.175 Uiso 1 1 calc R U . . .
 H26B H 0.452188 0.538158 0.500534 0.175 Uiso 1 1 calc R U . . .
 H26C H 0.411015 0.487135 0.524759 0.175 Uiso 1 1 calc R U . . .
 C24 C 0.2799(9) 0.6678(7) 0.5065(7) 0.069(3) Uani 0.5 1 d . U P D 2
 H24 H 0.270172 0.664863 0.466453 0.083 Uiso 0.5 1 calc R U P D 2
 C25 C 0.2914(10) 0.7324(8) 0.5341(8) 0.075(3) Uani 0.5 1 d . U P D 2
 H25 H 0.290271 0.775535 0.513656 0.090 Uiso 0.5 1 calc R U P D 2
 C23 C 0.3322(10) 0.6519(8) 0.5355(8) 0.076(3) Uani 0.5 1 d . U P D 1
 H23 H 0.356204 0.638947 0.512314 0.091 Uiso 0.5 1 calc R U P D 1
 C22 C 0.3415(11) 0.7160(8) 0.5658(8) 0.082(3) Uani 0.5 1 d . U P D 1
 H22 H 0.372303 0.747486 0.563484 0.098 Uiso 0.5 1 calc R U P D 1
 O22 O 0.2939(7) 0.5350(6) 0.4666(5) 0.072(3) Uani 0.5 1 d . U P A 2


_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
 Pb2 O13 2.420(3) . ?
 Pb2 O4 2.278(3) 7_556 ?
 Pb2 O12 2.258(3) . ?
 Pb2 O21 2.460(3) 7_556 ?
 Pb1 O5 2.555(3) . ?
 Pb1 O7 2.301(3) . ?
 Pb1 O17 2.426(4) 7_556 ?
 Pb1 O8 2.462(5) . ?
 Pb1 O9 2.480(8) . ?
 Pb1 O22 2.490(11) . ?
 Al4 Al2 2.7559(18) 7_556 ?
 Al4 Al1 2.769(2) 7_556 ?
 Al4 O18 1.809(3) 7_556 ?
 Al4 O11 1.814(3) . ?
 Al4 O12 1.863(3) . ?
 Al4 O7 1.865(3) . ?
 Al4 O10 1.813(4) . ?
 Al6 Al1 3.0002(19) . ?
 Al6 O5 1.755(3) . ?
 Al6 O4 1.764(3) . ?
 Al6 O14 1.767(4) 7_556 ?
 Al6 O6 1.772(3) . ?
 Al3 O11 1.777(3) . ?
 Al3 O13 1.780(3) . ?
 Al3 O14 1.798(3) . ?
 Al3 O12 2.011(3) . ?
 Al3 O15 1.886(4) . ?
 Al2 O18 1.780(3) . ?
 Al2 O14 1.804(3) . ?
 Al2 O7 1.978(4) 7_556 ?
 Al2 O16 1.882(4) . ?
 Al2 O17 1.777(4) . ?
 Al1 O18 1.781(3) . ?
 Al1 O12 1.988(3) 7_556 ?
 Al1 O6 1.794(3) . ?
 Al1 O21 1.770(4) . ?
 Al1 O19 1.882(4) . ?
 Al5 O11 1.786(3) . ?
 Al5 O6 1.793(3) . ?
 Al5 O7 1.973(4) . ?
 Al5 O20 1.880(4) . ?
 Al5 O8 1.772(4) . ?
 O13 C15 1.435(6) . ?
 O5 C30 1.447(6) . ?
 O4 H4 0.9500 . ?
 O10 C17 1.270(7) . ?
 O21 C2 1.424(7) . ?
 O15 C13 1.263(6) . ?
 O19 C32 1.271(7) . ?
 O20 C32 1.252(7) . ?
 O16 C13 1.256(7) . ?
 O17 C5 1.438(7) . ?
 O8 C27 1.409(8) . ?
 O2 N1 1.249(6) . ?
 O1 N1 1.242(6) . ?
 N1 O3 1.243(6) . ?
 C13 C9 1.483(7) . ?
 C15 H15 1.0000 . ?
 C15 C14 1.518(8) . ?
 C15 C16 1.515(8) . ?
 C32 C33 1.477(8) . ?
 C2 H2 1.0000 . ?
 C2 C1 1.502(11) . ?
 C2 C3 1.484(12) . ?
 C9 C10 1.364(9) . ?
 C9 C8 1.392(9) . ?
 C17 C18 1.473(9) . ?
 C17 O9 1.302(11) . ?
 C17 O22 1.328(13) . ?
 C14 H14A 0.9800 . ?
 C14 H14B 0.9800 . ?
 C14 H14C 0.9800 . ?
 C33 C38 1.369(9) . ?
 C33 C34 1.378(10) . ?
 C16 H16A 0.9800 . ?
 C16 H16B 0.9800 . ?
 C16 H16C 0.9800 . ?
 C30 H30 1.0000 . ?
 C30 C29 1.504(9) . ?
 C30 C31 1.493(11) . ?
 C18 C19 1.327(9) . ?
 C18 C24 1.453(16) . ?
 C18 C23 1.498(19) . ?
 C19 H19 0.9500 . ?
 C19 C20 1.388(10) . ?
 C10 H10 0.9500 . ?
 C10 C11 1.398(10) . ?
 C5 H5 1.0000 . ?
 C5 C6 1.509(10) . ?
 C5 C4 1.498(10) . ?
 C29 H29A 0.9800 . ?
 C29 H29B 0.9800 . ?
 C29 H29C 0.9800 . ?
 C27 H27 1.0000 . ?
 C27 C28 1.496(11) . ?
 C27 C26 1.615(14) . ?
 C20 H20 0.9500 . ?
 C20 C21 1.305(11) . ?
 C38 H38 0.9500 . ?
 C38 C37 1.366(10) . ?
 C6 H6A 0.9800 . ?
 C6 H6B 0.9800 . ?
 C6 H6C 0.9800 . ?
 C12 H12 0.9500 . ?
 C12 C11 1.357(12) . ?
 C12 C7 1.355(12) . ?
 C36 H36 0.9500 . ?
 C36 C37 1.330(12) . ?
 C36 C35 1.392(12) . ?
 C4 H4A 0.9800 . ?
 C4 H4B 0.9800 . ?
 C4 H4C 0.9800 . ?
 C11 H11 0.9500 . ?
 C21 H21A 0.9500 . ?
 C21 H21 0.9500 . ?
 C21 C25 1.525(19) . ?
 C21 C22 1.36(2) . ?
 C8 H8 0.9500 . ?
 C8 C7 1.385(10) . ?
 C34 H34 0.9500 . ?
 C34 C35 1.380(11) . ?
 C28 H28A 0.9800 . ?
 C28 H28B 0.9800 . ?
 C28 H28C 0.9800 . ?
 C37 H37 0.9500 . ?
 C35 H35 0.9500 . ?
 C31 H31A 0.9800 . ?
 C31 H31B 0.9800 . ?
 C31 H31C 0.9800 . ?
 C1 H1A 0.9800 . ?
 C1 H1B 0.9800 . ?
 C1 H1C 0.9800 . ?
 C7 H7 0.9500 . ?
 C3 H3A 0.9800 . ?
 C3 H3B 0.9800 . ?
 C3 H3C 0.9800 . ?
 C26 H26A 0.9800 . ?
 C26 H26B 0.9800 . ?
 C26 H26C 0.9800 . ?
 C24 H24 0.9500 . ?
 C24 C25 1.379(19) . ?
 C25 H25 0.9500 . ?
 C23 H23 0.9500 . ?
 C23 C22 1.40(2) . ?
 C22 H22 0.9500 . ?

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
 O13 Pb2 O21 132.33(11) . 7_556 ?
 O4 Pb2 O13 83.29(12) 7_556 . ?
 O4 Pb2 O21 81.87(12) 7_556 7_556 ?
 O12 Pb2 O13 66.44(11) . . ?
 O12 Pb2 O4 73.32(11) . 7_556 ?
 O12 Pb2 O21 65.92(11) . 7_556 ?
 O7 Pb1 O5 72.24(11) . . ?
 O7 Pb1 O17 65.26(12) . 7_556 ?
 O7 Pb1 O8 65.23(12) . . ?
 O7 Pb1 O9 80.5(2) . . ?
 O7 Pb1 O22 80.6(3) . . ?
 O17 Pb1 O5 82.66(12) 7_556 . ?
 O17 Pb1 O8 130.45(12) 7_556 . ?
 O17 Pb1 O9 77.7(3) 7_556 . ?
 O17 Pb1 O22 98.7(3) 7_556 . ?
 O8 Pb1 O5 80.74(12) . . ?
 O8 Pb1 O9 96.3(3) . . ?
 O8 Pb1 O22 75.3(4) . . ?
 O9 Pb1 O5 151.3(2) . . ?
 O22 Pb1 O5 149.5(3) . . ?
 Al2 Al4 Al1 78.12(5) 7_556 7_556 ?
 O18 Al4 Al2 39.46(11) 7_556 7_556 ?
 O18 Al4 Al1 39.15(10) 7_556 7_556 ?
 O18 Al4 O11 134.04(16) 7_556 . ?
 O18 Al4 O12 84.71(14) 7_556 . ?
 O18 Al4 O7 85.04(15) 7_556 . ?
 O18 Al4 O10 114.16(17) 7_556 . ?
 O11 Al4 Al2 119.28(11) . 7_556 ?
 O11 Al4 Al1 119.59(12) . 7_556 ?
 O11 Al4 O12 85.32(15) . . ?
 O11 Al4 O7 85.02(15) . . ?
 O11 Al4 O10 111.36(16) . . ?
 O12 Al4 Al2 122.12(11) . 7_556 ?
 O12 Al4 Al1 45.84(10) . 7_556 ?
 O12 Al4 O7 154.33(15) . . ?
 O7 Al4 Al2 45.85(11) . 7_556 ?
 O7 Al4 Al1 122.19(12) . 7_556 ?
 O10 Al4 Al2 117.37(12) . 7_556 ?
 O10 Al4 Al1 106.92(13) . 7_556 ?
 O10 Al4 O12 95.24(15) . . ?
 O10 Al4 O7 110.43(16) . . ?
 O5 Al6 Al1 140.33(14) . . ?
 O5 Al6 O4 107.74(16) . . ?
 O5 Al6 O14 108.95(17) . 7_556 ?
 O5 Al6 O6 110.33(17) . . ?
 O4 Al6 Al1 84.99(12) . . ?
 O4 Al6 O14 109.08(16) . 7_556 ?
 O4 Al6 O6 110.92(16) . . ?
 O14 Al6 Al1 101.37(11) 7_556 . ?
 O14 Al6 O6 109.76(16) 7_556 . ?
 O6 Al6 Al1 32.94(10) . . ?
 O11 Al3 O13 117.18(16) . . ?
 O11 Al3 O14 120.32(15) . . ?
 O11 Al3 O12 81.99(14) . . ?
 O11 Al3 O15 98.00(16) . . ?
 O13 Al3 O14 120.50(16) . . ?
 O13 Al3 O12 84.96(14) . . ?
 O13 Al3 O15 93.51(17) . . ?
 O14 Al3 O12 88.80(15) . . ?
 O14 Al3 O15 92.70(16) . . ?
 O15 Al3 O12 178.26(16) . . ?
 O18 Al2 Pb1 111.91(12) . 7_556 ?
 O18 Al2 O14 118.26(15) . . ?
 O18 Al2 O7 82.55(15) . 7_556 ?
 O18 Al2 O16 96.73(17) . . ?
 O14 Al2 Pb1 101.87(12) . 7_556 ?
 O14 Al2 O7 90.56(15) . 7_556 ?
 O14 Al2 O16 91.94(16) . . ?
 O7 Al2 Pb1 42.46(9) 7_556 7_556 ?
 O16 Al2 Pb1 136.25(13) . 7_556 ?
 O16 Al2 O7 177.45(17) . 7_556 ?
 O17 Al2 Pb1 44.94(14) . 7_556 ?
 O17 Al2 O18 118.03(17) . . ?
 O17 Al2 O14 122.41(17) . . ?
 O17 Al2 O7 85.41(18) . 7_556 ?
 O17 Al2 O16 92.80(19) . . ?
 Al6 Al1 Pb2 68.12(4) . 7_556 ?
 O18 Al1 Pb2 109.88(11) . 7_556 ?
 O18 Al1 Al6 124.73(13) . . ?
 O18 Al1 O12 81.87(14) . 7_556 ?
 O18 Al1 O6 121.35(16) . . ?
 O18 Al1 O19 94.11(16) . . ?
 O12 Al1 Pb2 41.24(9) 7_556 7_556 ?
 O12 Al1 Al6 60.92(10) 7_556 . ?
 O6 Al1 Pb2 99.65(11) . 7_556 ?
 O6 Al1 Al6 32.49(10) . . ?
 O6 Al1 O12 89.70(14) . 7_556 ?
 O6 Al1 O19 93.64(16) . . ?
 O21 Al1 Pb2 46.04(11) . 7_556 ?
 O21 Al1 Al6 97.61(12) . . ?
 O21 Al1 O18 120.51(17) . . ?
 O21 Al1 O12 86.20(15) . 7_556 ?
 O21 Al1 O6 116.59(16) . . ?
 O21 Al1 O19 94.65(18) . . ?
 O19 Al1 Pb2 140.29(14) . 7_556 ?
 O19 Al1 Al6 123.00(13) . . ?
 O19 Al1 O12 175.73(16) . 7_556 ?
 O11 Al5 O6 118.55(16) . . ?
 O11 Al5 O7 82.62(15) . . ?
 O11 Al5 O20 92.96(16) . . ?
 O6 Al5 O7 91.53(15) . . ?
 O6 Al5 O20 92.98(16) . . ?
 O20 Al5 O7 174.81(16) . . ?
 O8 Al5 O11 121.70(18) . . ?
 O8 Al5 O6 118.85(17) . . ?
 O8 Al5 O7 86.51(19) . . ?
 O8 Al5 O20 93.5(2) . . ?
 Al2 O18 Al4 100.30(17) . 7_556 ?
 Al2 O18 Al1 155.8(2) . . ?
 Al1 O18 Al4 100.95(16) . 7_556 ?
 Al3 O11 Al4 100.87(17) . . ?
 Al3 O11 Al5 156.4(2) . . ?
 Al5 O11 Al4 99.99(16) . . ?
 Al3 O13 Pb2 103.46(14) . . ?
 C15 O13 Pb2 127.3(3) . . ?
 C15 O13 Al3 128.8(3) . . ?
 Al6 O5 Pb1 118.76(15) . . ?
 C30 O5 Pb1 116.3(3) . . ?
 C30 O5 Al6 123.4(3) . . ?
 Pb2 O4 H4 118.6 7_556 . ?
 Al6 O4 Pb2 122.84(16) . 7_556 ?
 Al6 O4 H4 118.6 . . ?
 Al6 O14 Al3 115.03(18) 7_556 . ?
 Al6 O14 Al2 116.70(18) 7_556 . ?
 Al3 O14 Al2 124.20(19) . . ?
 Al4 O12 Pb2 126.01(16) . . ?
 Al4 O12 Al3 91.13(14) . . ?
 Al4 O12 Al1 91.92(14) . 7_556 ?
 Al3 O12 Pb2 101.99(13) . . ?
 Al1 O12 Pb2 103.29(14) 7_556 . ?
 Al1 O12 Al3 146.14(17) 7_556 . ?
 Al6 O6 Al1 114.57(17) . . ?
 Al6 O6 Al5 116.13(18) . . ?
 Al1 O6 Al5 124.41(18) . . ?
 Al4 O7 Pb1 127.72(16) . . ?
 Al4 O7 Al2 91.59(16) . 7_556 ?
 Al4 O7 Al5 91.82(15) . . ?
 Al2 O7 Pb1 102.08(14) 7_556 . ?
 Al5 O7 Pb1 102.85(15) . . ?
 Al5 O7 Al2 145.40(18) . 7_556 ?
 C17 O10 Al4 133.8(4) . . ?
 Al1 O21 Pb2 102.77(15) . 7_556 ?
 C2 O21 Pb2 125.6(3) . 7_556 ?
 C2 O21 Al1 130.5(4) . . ?
 C13 O15 Al3 130.6(4) . . ?
 C32 O19 Al1 131.5(4) . . ?
 C32 O20 Al5 132.6(3) . . ?
 C13 O16 Al2 132.0(3) . . ?
 Al2 O17 Pb1 103.89(18) . 7_556 ?
 C5 O17 Pb1 126.2(4) . 7_556 ?
 C5 O17 Al2 129.5(4) . . ?
 Al5 O8 Pb1 103.34(19) . . ?
 C27 O8 Pb1 124.2(5) . . ?
 C27 O8 Al5 131.2(5) . . ?
 O1 N1 O2 120.6(5) . . ?
 O1 N1 O3 119.7(5) . . ?
 O3 N1 O2 119.7(5) . . ?
 O15 C13 C9 118.1(5) . . ?
 O16 C13 O15 124.3(5) . . ?
 O16 C13 C9 117.6(5) . . ?
 O13 C15 H15 108.7 . . ?
 O13 C15 C14 109.2(4) . . ?
 O13 C15 C16 109.8(4) . . ?
 C14 C15 H15 108.7 . . ?
 C16 C15 H15 108.7 . . ?
 C16 C15 C14 111.8(5) . . ?
 O19 C32 C33 117.9(5) . . ?
 O20 C32 O19 124.7(5) . . ?
 O20 C32 C33 117.5(5) . . ?
 O21 C2 H2 108.1 . . ?
 O21 C2 C1 109.1(6) . . ?
 O21 C2 C3 108.9(7) . . ?
 C1 C2 H2 108.1 . . ?
 C3 C2 H2 108.1 . . ?
 C3 C2 C1 114.5(9) . . ?
 C10 C9 C13 121.9(5) . . ?
 C10 C9 C8 118.8(6) . . ?
 C8 C9 C13 119.2(6) . . ?
 O10 C17 C18 120.0(6) . . ?
 O10 C17 O9 118.0(7) . . ?
 O10 C17 O22 119.9(7) . . ?
 O9 C17 C18 119.4(6) . . ?
 O22 C17 C18 112.3(7) . . ?
 C15 C14 H14A 109.5 . . ?
 C15 C14 H14B 109.5 . . ?
 C15 C14 H14C 109.5 . . ?
 H14A C14 H14B 109.5 . . ?
 H14A C14 H14C 109.5 . . ?
 H14B C14 H14C 109.5 . . ?
 C38 C33 C32 120.6(6) . . ?
 C38 C33 C34 118.0(6) . . ?
 C34 C33 C32 121.5(6) . . ?
 C15 C16 H16A 109.5 . . ?
 C15 C16 H16B 109.5 . . ?
 C15 C16 H16C 109.5 . . ?
 H16A C16 H16B 109.5 . . ?
 H16A C16 H16C 109.5 . . ?
 H16B C16 H16C 109.5 . . ?
 O5 C30 H30 107.2 . . ?
 O5 C30 C29 109.8(5) . . ?
 O5 C30 C31 109.6(6) . . ?
 C29 C30 H30 107.2 . . ?
 C31 C30 H30 107.2 . . ?
 C31 C30 C29 115.5(7) . . ?
 C17 C18 C23 120.5(8) . . ?
 C19 C18 C17 123.2(6) . . ?
 C19 C18 C24 117.2(8) . . ?
 C19 C18 C23 109.5(9) . . ?
 C24 C18 C17 114.7(8) . . ?
 C18 C19 H19 119.2 . . ?
 C18 C19 C20 121.5(7) . . ?
 C20 C19 H19 119.2 . . ?
 C9 C10 H10 120.1 . . ?
 C9 C10 C11 119.8(7) . . ?
 C11 C10 H10 120.1 . . ?
 O17 C5 H5 108.1 . . ?
 O17 C5 C6 108.7(6) . . ?
 O17 C5 C4 110.7(6) . . ?
 C6 C5 H5 108.1 . . ?
 C4 C5 H5 108.1 . . ?
 C4 C5 C6 112.9(6) . . ?
 C30 C29 H29A 109.5 . . ?
 C30 C29 H29B 109.5 . . ?
 C30 C29 H29C 109.5 . . ?
 H29A C29 H29B 109.5 . . ?
 H29A C29 H29C 109.5 . . ?
 H29B C29 H29C 109.5 . . ?
 O8 C27 H27 113.3 . . ?
 O8 C27 C28 110.1(7) . . ?
 O8 C27 C26 104.5(7) . . ?
 C28 C27 H27 113.3 . . ?
 C28 C27 C26 101.5(8) . . ?
 C26 C27 H27 113.3 . . ?
 C19 C20 H20 119.1 . . ?
 C21 C20 C19 121.8(7) . . ?
 C21 C20 H20 119.1 . . ?
 C17 O9 Pb1 133.8(7) . . ?
 C33 C38 H38 119.0 . . ?
 C37 C38 C33 121.9(8) . . ?
 C37 C38 H38 119.0 . . ?
 C5 C6 H6A 109.5 . . ?
 C5 C6 H6B 109.5 . . ?
 C5 C6 H6C 109.5 . . ?
 H6A C6 H6B 109.5 . . ?
 H6A C6 H6C 109.5 . . ?
 H6B C6 H6C 109.5 . . ?
 C11 C12 H12 120.1 . . ?
 C7 C12 H12 120.1 . . ?
 C7 C12 C11 119.8(7) . . ?
 C37 C36 H36 120.0 . . ?
 C37 C36 C35 120.0(7) . . ?
 C35 C36 H36 120.0 . . ?
 C5 C4 H4A 109.5 . . ?
 C5 C4 H4B 109.5 . . ?
 C5 C4 H4C 109.5 . . ?
 H4A C4 H4B 109.5 . . ?
 H4A C4 H4C 109.5 . . ?
 H4B C4 H4C 109.5 . . ?
 C10 C11 H11 119.6 . . ?
 C12 C11 C10 120.9(7) . . ?
 C12 C11 H11 119.6 . . ?
 C20 C21 H21A 122.6 . . ?
 C20 C21 H21 122.9 . . ?
 C20 C21 C25 114.8(9) . . ?
 C20 C21 C22 114.1(10) . . ?
 C25 C21 H21A 122.6 . . ?
 C22 C21 H21 122.9 . . ?
 C9 C8 H8 119.8 . . ?
 C7 C8 C9 120.4(8) . . ?
 C7 C8 H8 119.8 . . ?
 C33 C34 H34 119.9 . . ?
 C33 C34 C35 120.2(8) . . ?
 C35 C34 H34 119.9 . . ?
 C27 C28 H28A 109.5 . . ?
 C27 C28 H28B 109.5 . . ?
 C27 C28 H28C 109.5 . . ?
 H28A C28 H28B 109.5 . . ?
 H28A C28 H28C 109.5 . . ?
 H28B C28 H28C 109.5 . . ?
 C38 C37 H37 119.9 . . ?
 C36 C37 C38 120.3(8) . . ?
 C36 C37 H37 119.9 . . ?
 C36 C35 H35 120.2 . . ?
 C34 C35 C36 119.5(9) . . ?
 C34 C35 H35 120.2 . . ?
 C30 C31 H31A 109.5 . . ?
 C30 C31 H31B 109.5 . . ?
 C30 C31 H31C 109.5 . . ?
 H31A C31 H31B 109.5 . . ?
 H31A C31 H31C 109.5 . . ?
 H31B C31 H31C 109.5 . . ?
 C2 C1 H1A 109.5 . . ?
 C2 C1 H1B 109.5 . . ?
 C2 C1 H1C 109.5 . . ?
 H1A C1 H1B 109.5 . . ?
 H1A C1 H1C 109.5 . . ?
 H1B C1 H1C 109.5 . . ?
 C12 C7 C8 120.3(8) . . ?
 C12 C7 H7 119.8 . . ?
 C8 C7 H7 119.8 . . ?
 C2 C3 H3A 109.5 . . ?
 C2 C3 H3B 109.5 . . ?
 C2 C3 H3C 109.5 . . ?
 H3A C3 H3B 109.5 . . ?
 H3A C3 H3C 109.5 . . ?
 H3B C3 H3C 109.5 . . ?
 C27 C26 H26A 109.5 . . ?
 C27 C26 H26B 109.5 . . ?
 C27 C26 H26C 109.5 . . ?
 H26A C26 H26B 109.5 . . ?
 H26A C26 H26C 109.5 . . ?
 H26B C26 H26C 109.5 . . ?
 C18 C24 H24 121.3 . . ?
 C25 C24 C18 117.5(14) . . ?
 C25 C24 H24 121.3 . . ?
 C21 C25 H25 120.9 . . ?
 C24 C25 C21 118.2(13) . . ?
 C24 C25 H25 120.9 . . ?
 C18 C23 H23 121.0 . . ?
 C22 C23 C18 117.9(15) . . ?
 C22 C23 H23 121.0 . . ?
 C21 C22 C23 119.4(16) . . ?
 C21 C22 H22 120.3 . . ?
 C23 C22 H22 120.3 . . ?
 C17 O22 Pb1 131.1(8) . . ?

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
 Pb2 Al1 O18 Al4 -25.09(17) 7_556 . . 7_556 ?
 Pb2 Al1 O18 Al2 -176.0(5) 7_556 . . . ?
 Pb2 Al1 O6 Al6 13.93(19) 7_556 . . . ?
 Pb2 Al1 O6 Al5 168.08(19) 7_556 . . . ?
 Pb2 Al1 O21 C2 167.9(6) 7_556 . . . ?
 Pb2 Al1 O19 C32 129.0(4) 7_556 . . . ?
 Pb2 O13 C15 C14 13.9(6) . . . . ?
 Pb2 O13 C15 C16 -109.0(4) . . . . ?
 Pb2 O21 C2 C1 24.8(9) 7_556 . . . ?
 Pb2 O21 C2 C3 -100.7(7) 7_556 . . . ?
 Pb1 Al2 O18 Al4 25.76(17) 7_556 . . 7_556 ?
 Pb1 Al2 O18 Al1 176.7(5) 7_556 . . . ?
 Pb1 Al2 O14 Al6 -13.98(18) 7_556 . . 7_556 ?
 Pb1 Al2 O14 Al3 -170.10(17) 7_556 . . . ?
 Pb1 Al2 O16 C13 -122.3(4) 7_556 . . . ?
 Pb1 Al2 O17 C5 172.9(6) 7_556 . . . ?
 Pb1 O5 C30 C29 -34.7(7) . . . . ?
 Pb1 O5 C30 C31 93.1(6) . . . . ?
 Pb1 O17 C5 C6 -16.2(8) 7_556 . . . ?
 Pb1 O17 C5 C4 108.3(6) 7_556 . . . ?
 Pb1 O8 C27 C28 -34.1(10) . . . . ?
 Pb1 O8 C27 C26 74.2(7) . . . . ?
 Al4 O10 C17 C18 -169.7(5) . . . . ?
 Al4 O10 C17 O9 28.5(13) . . . . ?
 Al4 O10 C17 O22 -22.9(14) . . . . ?
 Al6 Al1 O18 Al4 51.53(19) . . . 7_556 ?
 Al6 Al1 O18 Al2 -99.3(5) . . . . ?
 Al6 Al1 O6 Al5 154.2(4) . . . . ?
 Al6 Al1 O21 Pb2 -49.37(12) . . . 7_556 ?
 Al6 Al1 O21 C2 118.6(5) . . . . ?
 Al6 Al1 O19 C32 34.1(5) . . . . ?
 Al6 O5 C30 C29 159.6(5) . . . . ?
 Al6 O5 C30 C31 -72.6(7) . . . . ?
 Al3 O13 C15 C14 -174.5(4) . . . . ?
 Al3 O13 C15 C16 62.6(6) . . . . ?
 Al3 O15 C13 O16 20.3(7) . . . . ?
 Al3 O15 C13 C9 -159.4(4) . . . . ?
 Al2 Al4 O11 Al3 -131.26(12) 7_556 . . . ?
 Al2 Al4 O11 Al5 37.71(18) 7_556 . . . ?
 Al2 Al4 O12 Pb2 -126.48(15) 7_556 . . . ?
 Al2 Al4 O12 Al3 127.78(10) 7_556 . . . ?
 Al2 Al4 O12 Al1 -18.49(17) 7_556 . . 7_556 ?
 Al2 Al4 O7 Pb1 106.6(2) 7_556 . . . ?
 Al2 Al4 O7 Al5 -145.56(19) 7_556 . . . ?
 Al2 Al4 O10 C17 -51.8(7) 7_556 . . . ?
 Al2 O16 C13 O15 -20.2(8) . . . . ?
 Al2 O16 C13 C9 159.5(4) . . . . ?
 Al2 O17 C5 C6 172.4(5) . . . . ?
 Al2 O17 C5 C4 -63.1(8) . . . . ?
 Al1 Al4 O11 Al3 -38.57(18) 7_556 . . . ?
 Al1 Al4 O11 Al5 130.40(12) 7_556 . . . ?
 Al1 Al4 O12 Pb2 -108.0(2) 7_556 . . . ?
 Al1 Al4 O12 Al3 146.27(17) 7_556 . . . ?
 Al1 Al4 O7 Pb1 124.80(17) 7_556 . . . ?
 Al1 Al4 O7 Al2 18.17(17) 7_556 . . 7_556 ?
 Al1 Al4 O7 Al5 -127.39(11) 7_556 . . . ?
 Al1 Al4 O10 C17 -137.0(7) 7_556 . . . ?
 Al1 Al6 O5 Pb1 -76.7(3) . . . . ?
 Al1 Al6 O5 C30 88.6(5) . . . . ?
 Al1 Al6 O4 Pb2 38.33(18) . . . 7_556 ?
 Al1 Al6 O6 Al5 -156.4(3) . . . . ?
 Al1 O21 C2 C1 -140.6(7) . . . . ?
 Al1 O21 C2 C3 93.8(8) . . . . ?
 Al1 O19 C32 O20 3.3(8) . . . . ?
 Al1 O19 C32 C33 -177.1(4) . . . . ?
 Al5 O20 C32 O19 -1.7(8) . . . . ?
 Al5 O20 C32 C33 178.6(4) . . . . ?
 Al5 O8 C27 C28 161.3(6) . . . . ?
 Al5 O8 C27 C26 -90.4(9) . . . . ?
 O18 Al4 O11 Al3 -84.8(2) 7_556 . . . ?
 O18 Al4 O11 Al5 84.1(2) 7_556 . . . ?
 O18 Al4 O12 Pb2 -113.3(2) 7_556 . . . ?
 O18 Al4 O12 Al3 140.99(15) 7_556 . . . ?
 O18 Al4 O12 Al1 -5.29(14) 7_556 . . 7_556 ?
 O18 Al4 O7 Pb1 111.8(2) 7_556 . . . ?
 O18 Al4 O7 Al2 5.17(14) 7_556 . . 7_556 ?
 O18 Al4 O7 Al5 -140.39(15) 7_556 . . . ?
 O18 Al4 O10 C17 -95.7(7) 7_556 . . . ?
 O18 Al2 O14 Al6 109.1(2) . . . 7_556 ?
 O18 Al2 O14 Al3 -47.0(3) . . . . ?
 O18 Al2 O16 C13 105.9(5) . . . . ?
 O18 Al2 O17 Pb1 -93.7(2) . . . 7_556 ?
 O18 Al2 O17 C5 79.2(5) . . . . ?
 O18 Al1 O6 Al6 -106.6(2) . . . . ?
 O18 Al1 O6 Al5 47.6(3) . . . . ?
 O18 Al1 O21 Pb2 88.86(19) . . . 7_556 ?
 O18 Al1 O21 C2 -103.2(5) . . . . ?
 O18 Al1 O19 C32 -102.6(5) . . . . ?
 O11 Al4 O12 Pb2 111.7(2) . . . . ?
 O11 Al4 O12 Al3 5.91(13) . . . . ?
 O11 Al4 O12 Al1 -140.36(14) . . . 7_556 ?
 O11 Al4 O7 Pb1 -113.1(2) . . . . ?
 O11 Al4 O7 Al2 140.24(15) . . . 7_556 ?
 O11 Al4 O7 Al5 -5.32(14) . . . . ?
 O11 Al4 O10 C17 90.7(7) . . . . ?
 O11 Al3 O13 Pb2 92.32(18) . . . . ?
 O11 Al3 O13 C15 -80.8(4) . . . . ?
 O11 Al3 O14 Al6 -107.3(2) . . . 7_556 ?
 O11 Al3 O14 Al2 49.1(3) . . . . ?
 O11 Al3 O15 C13 -108.6(4) . . . . ?
 O11 Al5 O6 Al6 108.9(2) . . . . ?
 O11 Al5 O6 Al1 -44.9(3) . . . . ?
 O11 Al5 O20 C32 97.2(5) . . . . ?
 O11 Al5 O8 Pb1 -90.6(2) . . . . ?
 O11 Al5 O8 C27 76.4(7) . . . . ?
 O13 Al3 O11 Al4 -73.8(2) . . . . ?
 O13 Al3 O11 Al5 134.4(5) . . . . ?
 O13 Al3 O14 Al6 56.1(2) . . . 7_556 ?
 O13 Al3 O14 Al2 -147.43(19) . . . . ?
 O13 Al3 O15 C13 133.3(4) . . . . ?
 O5 Al6 O4 Pb2 179.88(19) . . . 7_556 ?
 O5 Al6 O6 Al1 -159.67(18) . . . . ?
 O5 Al6 O6 Al5 43.9(2) . . . . ?
 O4 Al6 O5 Pb1 179.26(17) . . . . ?
 O4 Al6 O5 C30 -15.4(5) . . . . ?
 O4 Al6 O6 Al1 -40.4(2) . . . . ?
 O4 Al6 O6 Al5 163.26(18) . . . . ?
 O14 Al6 O5 Pb1 61.0(2) 7_556 . . . ?
 O14 Al6 O5 C30 -133.6(4) 7_556 . . . ?
 O14 Al6 O4 Pb2 -62.0(2) 7_556 . . 7_556 ?
 O14 Al6 O6 Al1 80.3(2) 7_556 . . . ?
 O14 Al6 O6 Al5 -76.1(2) 7_556 . . . ?
 O14 Al3 O11 Al4 90.2(2) . . . . ?
 O14 Al3 O11 Al5 -61.7(6) . . . . ?
 O14 Al3 O13 Pb2 -71.6(2) . . . . ?
 O14 Al3 O13 C15 115.2(4) . . . . ?
 O14 Al3 O15 C13 12.6(4) . . . . ?
 O14 Al2 O18 Al4 -92.13(19) . . . 7_556 ?
 O14 Al2 O18 Al1 58.8(6) . . . . ?
 O14 Al2 O16 C13 -12.8(5) . . . . ?
 O14 Al2 O17 Pb1 73.1(2) . . . 7_556 ?
 O14 Al2 O17 C5 -114.1(5) . . . . ?
 O12 Al4 O11 Al3 -6.81(15) . . . . ?
 O12 Al4 O11 Al5 162.16(16) . . . . ?
 O12 Al4 O7 Pb1 178.6(3) . . . . ?
 O12 Al4 O7 Al2 72.0(4) . . . 7_556 ?
 O12 Al4 O7 Al5 -73.6(4) . . . . ?
 O12 Al4 O10 C17 177.7(7) . . . . ?
 O12 Al3 O11 Al4 6.35(14) . . . . ?
 O12 Al3 O11 Al5 -145.5(5) . . . . ?
 O12 Al3 O13 Pb2 14.00(14) . . . . ?
 O12 Al3 O13 C15 -159.1(4) . . . . ?
 O12 Al3 O14 Al6 -27.35(18) . . . 7_556 ?
 O12 Al3 O14 Al2 129.1(2) . . . . ?
 O12 Al1 O18 Al4 5.66(15) 7_556 . . 7_556 ?
 O12 Al1 O18 Al2 -145.2(5) 7_556 . . . ?
 O12 Al1 O6 Al6 -26.3(2) 7_556 . . . ?
 O12 Al1 O6 Al5 127.9(2) 7_556 . . . ?
 O12 Al1 O21 Pb2 10.61(14) 7_556 . . 7_556 ?
 O12 Al1 O21 C2 178.5(5) 7_556 . . . ?
 O6 Al6 O5 Pb1 -59.5(2) . . . . ?
 O6 Al6 O5 C30 105.9(4) . . . . ?
 O6 Al6 O4 Pb2 59.0(2) . . . 7_556 ?
 O6 Al1 O18 Al4 90.3(2) . . . 7_556 ?
 O6 Al1 O18 Al2 -60.5(6) . . . . ?
 O6 Al1 O21 Pb2 -77.15(19) . . . 7_556 ?
 O6 Al1 O21 C2 90.8(5) . . . . ?
 O6 Al1 O19 C32 19.2(5) . . . . ?
 O6 Al5 O11 Al4 -93.38(19) . . . . ?
 O6 Al5 O11 Al3 58.6(6) . . . . ?
 O6 Al5 O20 C32 -21.6(5) . . . . ?
 O6 Al5 O8 Pb1 78.4(2) . . . . ?
 O6 Al5 O8 C27 -114.7(6) . . . . ?
 O7 Al4 O11 Al3 -163.00(17) . . . . ?
 O7 Al4 O11 Al5 5.97(16) . . . . ?
 O7 Al4 O12 Pb2 179.9(3) . . . . ?
 O7 Al4 O12 Al3 74.1(4) . . . . ?
 O7 Al4 O12 Al1 -72.2(4) . . . 7_556 ?
 O7 Al4 O10 C17 -1.9(7) . . . . ?
 O7 Al2 O18 Al4 -5.53(15) 7_556 . . 7_556 ?
 O7 Al2 O18 Al1 145.4(5) 7_556 . . . ?
 O7 Al2 O14 Al6 27.26(19) 7_556 . . 7_556 ?
 O7 Al2 O14 Al3 -128.9(2) 7_556 . . . ?
 O7 Al2 O17 Pb1 -14.68(15) 7_556 . . 7_556 ?
 O7 Al2 O17 C5 158.2(5) 7_556 . . . ?
 O7 Al5 O11 Al4 -5.66(15) . . . . ?
 O7 Al5 O11 Al3 146.3(5) . . . . ?
 O7 Al5 O6 Al6 26.5(2) . . . . ?
 O7 Al5 O6 Al1 -127.3(2) . . . . ?
 O7 Al5 O8 Pb1 -11.47(15) . . . . ?
 O7 Al5 O8 C27 155.5(7) . . . . ?
 O10 Al4 O11 Al3 86.99(19) . . . . ?
 O10 Al4 O11 Al5 -104.04(18) . . . . ?
 O10 Al4 O12 Pb2 0.6(2) . . . . ?
 O10 Al4 O12 Al3 -105.16(15) . . . . ?
 O10 Al4 O12 Al1 108.56(15) . . . 7_556 ?
 O10 Al4 O7 Pb1 -2.2(3) . . . . ?
 O10 Al4 O7 Al2 -108.79(16) . . . 7_556 ?
 O10 Al4 O7 Al5 105.64(17) . . . . ?
 O10 C17 C18 C19 -15.1(14) . . . . ?
 O10 C17 C18 C24 -169.6(11) . . . . ?
 O10 C17 C18 C23 132.9(12) . . . . ?
 O10 C17 O9 Pb1 -55.8(14) . . . . ?
 O10 C17 O22 Pb1 54.3(16) . . . . ?
 O21 Al1 O18 Al4 -75.0(2) . . . 7_556 ?
 O21 Al1 O18 Al2 134.1(5) . . . . ?
 O21 Al1 O6 Al6 59.3(2) . . . . ?
 O21 Al1 O6 Al5 -146.5(2) . . . . ?
 O21 Al1 O19 C32 136.3(5) . . . . ?
 O15 Al3 O11 Al4 -171.89(16) . . . . ?
 O15 Al3 O11 Al5 36.2(5) . . . . ?
 O15 Al3 O13 Pb2 -166.84(15) . . . . ?
 O15 Al3 O13 C15 20.0(4) . . . . ?
 O15 Al3 O14 Al6 151.77(19) . . . 7_556 ?
 O15 Al3 O14 Al2 -51.8(2) . . . . ?
 O15 C13 C9 C10 2.1(8) . . . . ?
 O15 C13 C9 C8 178.4(6) . . . . ?
 O19 Al1 O18 Al4 -172.88(17) . . . 7_556 ?
 O19 Al1 O18 Al2 36.3(5) . . . . ?
 O19 Al1 O6 Al6 156.4(2) . . . . ?
 O19 Al1 O6 Al5 -49.5(3) . . . . ?
 O19 Al1 O21 Pb2 -173.58(15) . . . 7_556 ?
 O19 Al1 O21 C2 -5.7(5) . . . . ?
 O19 C32 C33 C38 -171.8(6) . . . . ?
 O19 C32 C33 C34 7.9(9) . . . . ?
 O20 Al5 O11 Al4 171.60(16) . . . . ?
 O20 Al5 O11 Al3 -36.4(5) . . . . ?
 O20 Al5 O6 Al6 -156.1(2) . . . . ?
 O20 Al5 O6 Al1 50.1(2) . . . . ?
 O20 Al5 O8 Pb1 173.73(16) . . . . ?
 O20 Al5 O8 C27 -19.3(7) . . . . ?
 O20 C32 C33 C38 7.9(8) . . . . ?
 O20 C32 C33 C34 -172.4(7) . . . . ?
 O16 Al2 O18 Al4 172.00(17) . . . 7_556 ?
 O16 Al2 O18 Al1 -37.1(5) . . . . ?
 O16 Al2 O14 Al6 -152.2(2) . . . 7_556 ?
 O16 Al2 O14 Al3 51.7(2) . . . . ?
 O16 Al2 O17 Pb1 167.13(16) . . . 7_556 ?
 O16 Al2 O17 C5 -20.0(5) . . . . ?
 O16 C13 C9 C10 -177.6(6) . . . . ?
 O16 C13 C9 C8 -1.3(9) . . . . ?
 O17 Al2 O18 Al4 75.2(2) . . . 7_556 ?
 O17 Al2 O18 Al1 -133.9(5) . . . . ?
 O17 Al2 O14 Al6 -57.6(3) . . . 7_556 ?
 O17 Al2 O14 Al3 146.2(2) . . . . ?
 O17 Al2 O16 C13 -135.4(5) . . . . ?
 O8 Al5 O11 Al4 75.6(2) . . . . ?
 O8 Al5 O11 Al3 -132.4(5) . . . . ?
 O8 Al5 O6 Al6 -60.4(3) . . . . ?
 O8 Al5 O6 Al1 145.8(2) . . . . ?
 O8 Al5 O20 C32 -140.7(5) . . . . ?
 C13 C9 C10 C11 176.3(7) . . . . ?
 C13 C9 C8 C7 -175.9(8) . . . . ?
 C32 C33 C38 C37 179.5(7) . . . . ?
 C32 C33 C34 C35 179.5(8) . . . . ?
 C9 C10 C11 C12 -0.5(13) . . . . ?
 C9 C8 C7 C12 -0.5(15) . . . . ?
 C17 C18 C19 C20 -177.4(9) . . . . ?
 C17 C18 C24 C25 179.5(16) . . . . ?
 C17 C18 C23 C22 178.0(15) . . . . ?
 C33 C38 C37 C36 0.1(14) . . . . ?
 C33 C34 C35 C36 2.0(16) . . . . ?
 C18 C17 O9 Pb1 142.2(8) . . . . ?
 C18 C17 O22 Pb1 -156.5(9) . . . . ?
 C18 C19 C20 C21 -2.0(16) . . . . ?
 C18 C24 C25 C21 -1(3) . . . . ?
 C18 C23 C22 C21 0(3) . . . . ?
 C19 C18 C24 C25 23(2) . . . . ?
 C19 C18 C23 C22 -30(2) . . . . ?
 C19 C20 C21 C25 24.9(17) . . . . ?
 C19 C20 C21 C22 -31.3(18) . . . . ?
 C10 C9 C8 C7 0.5(13) . . . . ?
 C20 C21 C25 C24 -23(2) . . . . ?
 C20 C21 C22 C23 31(3) . . . . ?
 O9 C17 C18 C19 146.5(10) . . . . ?
 O9 C17 C18 C23 -65.5(16) . . . . ?
 C38 C33 C34 C35 -0.8(13) . . . . ?
 C11 C12 C7 C8 -0.1(16) . . . . ?
 C8 C9 C10 C11 0.0(11) . . . . ?
 C34 C33 C38 C37 -0.3(12) . . . . ?
 C37 C36 C35 C34 -2.1(17) . . . . ?
 C35 C36 C37 C38 1.1(16) . . . . ?
 C7 C12 C11 C10 0.6(14) . . . . ?
 C24 C18 C19 C20 -23.5(16) . . . . ?
 C23 C18 C19 C20 31.5(15) . . . . ?
 O22 C17 C18 C19 -164.3(11) . . . . ?
 O22 C17 C18 C24 41.2(15) . . . . ?

_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 0.000 0.243 0.750 349.6 75.4 ?
 2 0.000 0.757 0.250 349.6 75.3 ?
 3 0.500 0.257 0.250 349.6 75.3 ?
 4 0.500 0.743 0.750 349.6 75.4 ?

_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  1.919
_oxdiff_exptl_absorpt_empirical_full_min  0.740
# start Validation Reply Form
_vrf_PLAT971_Al12Pb4
;
PROBLEM:  Check Calcd Resid. Dens.  0.80Ang From Pb1             3.76 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_PLAT780_Al12Pb4
;
PROBLEM:  Coordinates do not Form a Properly Connected Set     Please Do !
RESPONSE: : It h as been checked that all the atoms form a connected set. 
;
# end Validation Reply Form
