data_tbdptp_2
_audit_creation_date               2024-05-28
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_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. A71, 3-8.

Sheldrick, G.M. (2015). Acta Cryst. C71, 3-8.
;
_chemical_name_common              ?
_chemical_name_systematic          ?
_chemical_formula_moiety           'C114 H66 F36 O16 P4 Tb2'
_chemical_formula_sum              'C114 H66 F36 O16 P4 Tb2'
_chemical_formula_weight           2817.38
_chemical_melting_point            ?
_chemical_oxdiff_formula           'Tb C H O P F'
loop_
  _atom_type_symbol
  _atom_type_description
  _atom_type_scat_dispersion_real
  _atom_type_scat_dispersion_imag
  _atom_type_scat_source
 'C' 'C' 0.0033 0.0016 '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'
 'F' 'F' 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P' 'P' 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Tb' 'Tb' -0.1723 4.1537
 '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        'orthorhombic'
_space_group_IT_number             56
_space_group_name_H-M_alt          'P c c n'
_space_group_name_Hall             '-P 2ab 2ac'
loop_
  _space_group_symop_operation_xyz
 'x, y, z'
 '-x+1/2, -y+1/2, z'
 '-x, y+1/2, -z+1/2'
 'x+1/2, -y, -z+1/2'
 '-x, -y, -z'
 'x-1/2, y-1/2, -z'
 'x, -y-1/2, z-1/2'
 '-x-1/2, y, z-1/2'

_cell_length_a                     40.9140(15)
_cell_length_b                     31.3064(15)
_cell_length_c                     18.6551(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       23894.8(16)
_cell_formula_units_Z              8
_cell_measurement_reflns_used      18306
_cell_measurement_temperature      293(2)
_cell_measurement_theta_max        26.7670
_cell_measurement_theta_min        1.9700
_shelx_estimated_absorpt_T_max     ?
_shelx_estimated_absorpt_T_min     ?
_exptl_absorpt_coefficient_mu      1.345
_exptl_absorpt_correction_T_max    1.00000
_exptl_absorpt_correction_T_min    0.42651
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.45a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details     ?
_exptl_crystal_colour              colourless
_exptl_crystal_colour_primary      colourless
_exptl_crystal_density_diffrn      1.566
_exptl_crystal_density_meas        ?
_exptl_crystal_density_method      ?
_exptl_crystal_description         block
_exptl_crystal_F_000               11136
loop_
  _exptl_crystal_face_index_h
  _exptl_crystal_face_index_k
  _exptl_crystal_face_index_l
  _exptl_crystal_face_perp_dist
 -18 -1 25 0.0607
 -56 -1 -6 0.0734
 -1 1 -26 0.0590
 58 2 2 0.0121
 -25 -12 23 0.0834
 -16 42 1 0.0418
 22 18 -22 0.0428
 17 -42 -1 0.0237

_exptl_crystal_size_max            0.125
_exptl_crystal_size_mid            0.114
_exptl_crystal_size_min            0.067
loop_
  _exptl_oxdiff_crystal_face_indexfrac_h
  _exptl_oxdiff_crystal_face_indexfrac_k
  _exptl_oxdiff_crystal_face_indexfrac_l
  _exptl_oxdiff_crystal_face_x
  _exptl_oxdiff_crystal_face_y
  _exptl_oxdiff_crystal_face_z
 -18.0448 -1.1536 25.0576 -0.2058 -0.0290 0.9782
 -56.1285 -1.4946 -5.8273 0.9462 0.1340 0.2944
 -1.0476 0.6274 -26.3263 0.5142 0.0727 -0.8546
 57.5155 1.6427 1.5261 -0.8854 -0.1254 -0.4475
 -25.2187 -11.5592 22.7330 -0.0816 0.2232 0.9713
 -16.1604 42.3100 0.6267 0.3400 -0.9314 0.1296
 22.1216 17.5440 -22.0174 0.1300 -0.3558 -0.9255
 16.7793 -42.1393 -1.1529 -0.3389 0.9284 -0.1523

_exptl_transmission_factor_max     ?
_exptl_transmission_factor_min     ?
_diffrn_reflns_av_R_equivalents    0.0649
_diffrn_reflns_av_unetI/netI       0.0733
_diffrn_reflns_Laue_measured_fraction_full  1.000
_diffrn_reflns_Laue_measured_fraction_max  0.783
_diffrn_reflns_limit_h_max         49
_diffrn_reflns_limit_h_min         -58
_diffrn_reflns_limit_k_max         30
_diffrn_reflns_limit_k_min         -38
_diffrn_reflns_limit_l_max         23
_diffrn_reflns_limit_l_min         -25
_diffrn_reflns_number              124421
_diffrn_reflns_point_group_measured_fraction_full  1.000
_diffrn_reflns_point_group_measured_fraction_max  0.783
_diffrn_reflns_theta_full          25.242
_diffrn_reflns_theta_max           30.949
_diffrn_reflns_theta_min           1.614
_diffrn_ambient_temperature        293(2)
_diffrn_detector                   'CCD plate'
_diffrn_detector_area_resol_mean   10.0000
_diffrn_measured_fraction_theta_full  1.000
_diffrn_measured_fraction_theta_max  0.783
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -82.00 -44.00   0.38   21.16    --    5.00  18.00 -90.00  100
  2  ω    -13.00  58.06   0.38   21.16    --   -6.40   0.00  60.00  187
  3  ω    -90.00 -36.80   0.38   21.16    --   -6.40   0.00  60.00  140
;
_diffrn_measurement_device         'four-circle diffractometer'
_diffrn_measurement_device_type    'XtaLAB AFC11 (RCD3): quarter-chi single'
_diffrn_measurement_method         'ω scans'
_diffrn_orient_matrix_type        
 'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11        -0.0149681000
_diffrn_orient_matrix_UB_12        0.0025995000
_diffrn_orient_matrix_UB_13        -0.0188734000
_diffrn_orient_matrix_UB_21        -0.0014507000
_diffrn_orient_matrix_UB_22        -0.0225207000
_diffrn_orient_matrix_UB_23        -0.0032406000
_diffrn_orient_matrix_UB_31        -0.0086307000
_diffrn_orient_matrix_UB_32        -0.0007195000
_diffrn_orient_matrix_UB_33        0.0327880000
_diffrn_radiation_monochromator    mirror
_diffrn_radiation_probe            x-ray
_diffrn_radiation_type             'Mo K\a'
_diffrn_radiation_wavelength       0.71073
_diffrn_source                     'Rotating-anode X-ray tube (dual wavelength)'
_diffrn_source_type                'Rigaku (Mo) X-ray DW Source'
_reflns_Friedel_coverage           0.000
_reflns_Friedel_fraction_full      .
_reflns_Friedel_fraction_max       .
_reflns_number_gt                  20378
_reflns_number_total               29699
_reflns_odcompleteness_completeness  99.88
_reflns_odcompleteness_iscentric   1
_reflns_odcompleteness_theta       26.32
_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 1.171.40.45a (Rigaku OD, 2019)'
_computing_data_collection         'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_computing_data_reduction          'CrysAlisPro 1.171.40.45a (Rigaku OD, 2019)'
_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 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max           1.474
_refine_diff_density_min           -0.992
_refine_diff_density_rms           0.113
_refine_ls_extinction_coef         .
_refine_ls_extinction_method       none
_refine_ls_goodness_of_fit_ref     1.024
_refine_ls_hydrogen_treatment      constr
_refine_ls_matrix_type             full
_refine_ls_number_parameters       1549
_refine_ls_number_reflns           29699
_refine_ls_number_restraints       78
_refine_ls_R_factor_all            0.1043
_refine_ls_R_factor_gt             0.0667
_refine_ls_restrained_S_all        1.040
_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)+(0.0517P)²+98.4308P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme        calc
_refine_ls_wR_factor_gt            0.1368
_refine_ls_wR_factor_ref           0.1508
_refine_special_details            ?
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
C04B \\sim F01O \\sim F00W \\sim F01J: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 2A
F04L \\sim F02K \\sim F00Y \\sim C10: within 2A with sigma of 0.02 and sigma
for terminal atoms of 0.04 within 2A
3. Rigid body (RIGU) restrains
 F01O, C04B, F01J, F00W
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C10, F04L, F00Y, F02K
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4.a Aromatic/amide H refined with riding coordinates:
 C019(H019), C01B(H01B), C01F(H01F), C01H(H01H), C01Q(H01Q), C01R(H01R),
 C01S(H01S), C01U(H01U), C01V(H01V), C01W(H01W), C01X(H01X), C01Y(H01Y),
 C024(H024), C026(H026), C028(H028), C029(H029), C02B(H02B), C02E(H02E),
 C02H(H02H), C02I(H02I), C02J(H02J), C02L(H02L), C02M(H02M), C02O(H02O),
 C02Q(H02Q), C02R(H02R), C02T(H02T), C02W(H02W), C02X(H02X), C030(H030),
 C032(H032), C033(H033), C034(H034), C038(H038), C03A(H03A), C03E(H03E),
 C03G(H03G), C03I(H03I), C03J(H03J), C03K(H03K), C03L(H03L), C03M(H03M),
 C03N(H03N), C03O(H03O), C03P(H03P), C03Q(H03Q), C03T(H03T), C03W(H03W),
 C03Y(H03Y), C03Z(H03Z), C040(H040), C042(H042), C043(H043), C045(H045),
 C046(H046), C047(H047), C04A(H04A), C04D(H04D), C04F(H04F), C04G(H04G),
 C04J(H04J), C04K(H04K), C04M(H04M), C04P(H04P), C04R(H04R), C04T(H04T)
;
_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
 Tb01 Tb 0.37100(2) 0.64225(2) 0.55093(2) 0.02675(7) Uani 1 1 d . . . . .
 Tb02 Tb 0.39167(2) 0.35172(2) -0.06195(2) 0.02751(7) Uani 1 1 d . . . . .
 P003 P 0.32005(3) 0.41404(4) 0.00184(7) 0.0292(3) Uani 1 1 d . . . . .
 P004 P 0.37108(3) 0.52341(5) 0.52829(7) 0.0317(3) Uani 1 1 d . . . . .
 P005 P 0.38054(4) 0.66918(5) 0.36028(7) 0.0331(3) Uani 1 1 d . . . . .
 P006 P 0.44683(3) 0.38689(5) 0.08343(7) 0.0355(3) Uani 1 1 d . . . . .
 F007 F 0.42388(9) 0.77943(11) 0.6213(2) 0.0559(10) Uani 1 1 d . . . . .
 O008 O 0.36695(9) 0.65257(11) 0.42939(18) 0.0334(8) Uani 1 1 d . . . . .
 O009 O 0.40281(9) 0.70038(12) 0.58845(19) 0.0347(8) Uani 1 1 d . . . . .
 F00A F 0.23244(8) 0.63454(13) 0.5200(2) 0.0630(11) Uani 1 1 d . . . . .
 O00B O 0.43333(10) 0.34080(13) -0.14660(19) 0.0403(9) Uani 1 1 d . . . . .
 O00C O 0.41429(10) 0.42032(12) -0.09246(19) 0.0393(9) Uani 1 1 d . . . . .
 O00D O 0.31563(9) 0.62336(12) 0.52114(19) 0.0349(8) Uani 1 1 d . . . . .
 O00E O 0.41844(9) 0.37608(13) 0.03700(19) 0.0374(9) Uani 1 1 d . . . . .
 O00F O 0.42162(9) 0.29038(12) -0.0283(2) 0.0374(9) Uani 1 1 d . . . . .
 F00G F 0.26119(9) 0.57876(13) 0.5247(3) 0.0670(11) Uani 1 1 d . . . . .
 O00H O 0.34960(9) 0.39554(12) -0.03363(18) 0.0342(8) Uani 1 1 d . . . . .
 F00I F 0.48695(11) 0.31044(14) -0.2164(2) 0.0733(13) Uani 1 1 d . . . . .
 O00J O 0.37248(9) 0.57058(12) 0.5369(2) 0.0387(9) Uani 1 1 d . . . . .
 O00K O 0.34090(9) 0.70649(12) 0.5404(2) 0.0394(9) Uani 1 1 d . . . . .
 O00L O 0.36325(9) 0.31795(12) 0.03589(19) 0.0363(9) Uani 1 1 d . . . . .
 O00M O 0.36962(10) 0.37217(13) -0.1760(2) 0.0426(9) Uani 1 1 d . . . . .
 O00N O 0.36066(11) 0.29518(13) -0.1072(2) 0.0458(10) Uani 1 1 d . . . . .
 O00O O 0.42571(9) 0.63085(13) 0.50795(19) 0.0363(9) Uani 1 1 d . . . . .
 F00P F 0.47264(9) 0.75660(13) 0.6347(3) 0.0789(14) Uani 1 1 d . . . . .
 O00Q O 0.40459(10) 0.61954(14) 0.6494(2) 0.0452(10) Uani 1 1 d . . . . .
 O00R O 0.33984(11) 0.64174(14) 0.6578(2) 0.0476(10) Uani 1 1 d . . . . .
 F00S F 0.43529(11) 0.73699(14) 0.7073(2) 0.0710(12) Uani 1 1 d . . . . .
 F00T F 0.25711(11) 0.61264(17) 0.4267(2) 0.0822(15) Uani 1 1 d . . . . .
 F00W F 0.34262(16) 0.21613(16) -0.1717(3) 0.1060(17) Uani 1 1 d . U . . .
 F00X F 0.29103(16) 0.65928(19) 0.7445(4) 0.110(2) Uani 1 1 d . . . . .
 F00Y F 0.28856(16) 0.77227(15) 0.4625(3) 0.0967(16) Uani 1 1 d . U . . .
 F00Z F 0.30880(12) 0.27262(18) 0.0840(3) 0.0944(16) Uani 1 1 d . . . . .
 F010 F 0.34515(17) 0.42303(18) -0.2740(3) 0.107(2) Uani 1 1 d . . . . .
 C011 C 0.41305(13) 0.50673(18) 0.1239(3) 0.0343(12) Uani 1 1 d . . . . .
 F012 F 0.44892(17) 0.3208(2) -0.2890(3) 0.128(3) Uani 1 1 d . . . . .
 C013 C 0.34750(13) 0.46635(17) 0.2234(3) 0.0316(11) Uani 1 1 d . . . . .
 C014 C 0.41369(14) 0.70544(17) 0.3752(3) 0.0352(12) Uani 1 1 d . . . . .
 C015 C 0.39191(12) 0.53741(18) 0.0891(3) 0.0322(11) Uani 1 1 d . . . . .
 C016 C 0.31252(13) 0.53038(17) 0.2060(3) 0.0321(11) Uani 1 1 d . . . . .
 C017 C 0.34102(13) 0.51910(17) 0.3219(3) 0.0324(11) Uani 1 1 d . . . . .
 C018 C 0.36858(13) 0.50812(18) 0.4354(3) 0.0344(12) Uani 1 1 d . . . . .
 C019 C 0.34742(13) 0.53118(17) 0.3931(3) 0.0315(11) Uani 1 1 d . . . . .
 H019 H 0.337168 0.555192 0.411953 0.038 Uiso 1 1 calc R U . . .
 C01A C 0.35620(13) 0.48227(17) 0.2949(3) 0.0328(12) Uani 1 1 d . . . . .
 C01B C 0.31845(13) 0.47426(17) 0.1116(3) 0.0322(11) Uani 1 1 d . . . . .
 H01B H 0.304811 0.490158 0.081969 0.039 Uiso 1 1 calc R U . . .
 C01C C 0.33025(13) 0.43574(18) 0.0877(3) 0.0319(11) Uani 1 1 d . . . . .
 F01D F 0.33533(14) 0.3019(2) 0.1649(2) 0.1034(18) Uani 1 1 d . . . . .
 C01E C 0.33507(13) 0.50192(19) 0.5687(3) 0.0382(13) Uani 1 1 d . . . . .
 C01F C 0.37985(14) 0.5308(2) 0.0189(3) 0.0408(13) Uani 1 1 d . . . . .
 H01F H 0.385264 0.505764 -0.005241 0.049 Uiso 1 1 calc R U . . .
 C01G C 0.31906(12) 0.54405(17) 0.2764(3) 0.0311(11) Uani 1 1 d . . . . .
 C01H C 0.36042(16) 0.5603(2) -0.0140(3) 0.0501(16) Uani 1 1 d . . . . .
 H01H H 0.352452 0.554851 -0.059793 0.060 Uiso 1 1 calc R U . . .
 C01I C 0.30292(13) 0.45467(17) -0.0533(3) 0.0328(11) Uani 1 1 d . . . . .
 F01J F 0.31227(14) 0.23857(17) -0.0880(3) 0.1014(18) Uani 1 1 d . U . . .
 C01K C 0.32647(13) 0.49033(17) 0.1800(3) 0.0310(11) Uani 1 1 d . . . . .
 F01L F 0.48665(18) 0.36439(17) -0.2844(3) 0.138(3) Uani 1 1 d . . . . .
 C01M C 0.39464(13) 0.58332(17) 0.1973(3) 0.0310(11) Uani 1 1 d . . . . .
 C01N C 0.42556(14) 0.51500(19) 0.1929(3) 0.0361(12) Uani 1 1 d . . . . .
 F01O F 0.29736(15) 0.2454(2) -0.1971(3) 0.123(2) Uani 1 1 d . U . . .
 C01P C 0.28871(13) 0.37526(19) 0.0153(3) 0.0355(12) Uani 1 1 d . . . . .
 C01Q C 0.29195(14) 0.55579(18) 0.1631(3) 0.0389(13) Uani 1 1 d . . . . .
 H01Q H 0.287663 0.547596 0.116085 0.047 Uiso 1 1 calc R U . . .
 C01R C 0.38470(13) 0.61954(17) 0.2357(3) 0.0335(12) Uani 1 1 d . . . . .
 H01R H 0.371265 0.639616 0.213780 0.040 Uiso 1 1 calc R U . . .
 C01S C 0.44690(15) 0.4859(2) 0.2234(3) 0.0496(16) Uani 1 1 d . . . . .
 H01S H 0.456534 0.492440 0.267190 0.060 Uiso 1 1 calc R U . . .
 C01T C 0.40629(14) 0.49803(18) 0.5665(3) 0.0383(13) Uani 1 1 d . . . . .
 C01U C 0.35907(15) 0.4275(2) 0.1986(3) 0.0416(14) Uani 1 1 d . . . . .
 H01U H 0.372935 0.411378 0.227403 0.050 Uiso 1 1 calc R U . . .
 C01V C 0.35035(14) 0.41234(19) 0.1319(3) 0.0377(13) Uani 1 1 d . . . . .
 H01V H 0.358144 0.385962 0.116662 0.045 Uiso 1 1 calc R U . . .
 C01W C 0.41503(15) 0.59599(19) 0.3388(3) 0.0421(14) Uani 1 1 d . . . . .
 H01W H 0.421654 0.600052 0.385976 0.050 Uiso 1 1 calc R U . . .
 C01X C 0.32134(14) 0.47052(19) -0.1102(3) 0.0384(13) Uani 1 1 d . . . . .
 H01X H 0.342345 0.460283 -0.118546 0.046 Uiso 1 1 calc R U . . .
 C01Y C 0.40695(16) 0.7406(2) 0.4182(3) 0.0469(15) Uani 1 1 d . . . . .
 H01Y H 0.386125 0.744366 0.437079 0.056 Uiso 1 1 calc R U . . .
 F01Z F 0.43671(16) 0.1912(2) 0.0454(3) 0.137(3) Uani 1 1 d . . . . .
 C020 C 0.39459(14) 0.62584(17) 0.3058(3) 0.0340(12) Uani 1 1 d . . . . .
 C021 C 0.38323(13) 0.57587(18) 0.1238(3) 0.0331(12) Uani 1 1 d . . . . .
 F022 F 0.4100(2) 0.49959(18) -0.1514(5) 0.144(3) Uani 1 1 d . . . . .
 C023 C 0.41583(14) 0.55353(18) 0.2301(3) 0.0357(12) Uani 1 1 d . . . . .
 C024 C 0.38475(16) 0.4732(2) 0.4079(3) 0.0444(15) Uani 1 1 d . . . . .
 H024 H 0.399689 0.458237 0.435831 0.053 Uiso 1 1 calc R U . . .
 C025 C 0.43281(14) 0.70693(18) 0.5920(3) 0.0385(13) Uani 1 1 d . . . . .
 C026 C 0.31865(16) 0.5254(2) 0.6198(3) 0.0496(16) Uani 1 1 d . . . . .
 H026 H 0.326461 0.552063 0.633855 0.059 Uiso 1 1 calc R U . . .
 C027 C 0.36464(14) 0.28143(19) 0.0626(3) 0.0392(13) Uani 1 1 d . . . . .
 C028 C 0.30820(17) 0.5014(2) -0.1541(3) 0.0497(16) Uani 1 1 d . . . . .
 H028 H 0.320267 0.511846 -0.192623 0.060 Uiso 1 1 calc R U . . .
 C029 C 0.27308(15) 0.3698(2) 0.0797(3) 0.0456(15) Uani 1 1 d . . . . .
 H029 H 0.278647 0.386473 0.119079 0.055 Uiso 1 1 calc R U . . .
 C02A C 0.45225(14) 0.64698(19) 0.5234(3) 0.0386(13) Uani 1 1 d . . . . .
 C02B C 0.30479(15) 0.58192(19) 0.3013(3) 0.0428(14) Uani 1 1 d . . . . .
 H02B H 0.309483 0.591469 0.347337 0.051 Uiso 1 1 calc R U . . .
 C02C C 0.29027(14) 0.6435(2) 0.5144(3) 0.0417(14) Uani 1 1 d . . . . .
 C02D C 0.26000(15) 0.6173(2) 0.4963(3) 0.0441(14) Uani 1 1 d . . . . .
 C02E C 0.45428(15) 0.4480(2) 0.1914(3) 0.0455(15) Uani 1 1 d . . . . .
 H02E H 0.468360 0.428815 0.213738 0.055 Uiso 1 1 calc R U . . .
 C02F C 0.35001(15) 0.69847(18) 0.3119(3) 0.0387(13) Uani 1 1 d . . . . .
 C02G C 0.41529(15) 0.25816(19) 0.0086(3) 0.0420(14) Uani 1 1 d . . . . .
 C02H C 0.38837(15) 0.2512(2) 0.0524(3) 0.0456(14) Uani 1 1 d . . . . .
 H02H H 0.386384 0.225059 0.075689 0.055 Uiso 1 1 calc R U . . .
 C02I C 0.44446(15) 0.7003(2) 0.3482(3) 0.0449(15) Uani 1 1 d . . . . .
 H02I H 0.449082 0.676824 0.319427 0.054 Uiso 1 1 calc R U . . .
 C02J C 0.27830(17) 0.5920(2) 0.1892(3) 0.0501(16) Uani 1 1 d . . . . .
 H02J H 0.264840 0.608355 0.159873 0.060 Uiso 1 1 calc R U . . .
 F02K F 0.2883(2) 0.7774(2) 0.5703(3) 0.161(3) Uani 1 1 d . U . . .
 C02L C 0.42537(15) 0.56062(19) 0.3015(3) 0.0396(13) Uani 1 1 d . . . . .
 H02L H 0.438967 0.540952 0.324042 0.047 Uiso 1 1 calc R U . . .
 C02M C 0.46866(16) 0.7293(2) 0.3631(3) 0.0493(16) Uani 1 1 d . . . . .
 H02M H 0.489630 0.725419 0.344995 0.059 Uiso 1 1 calc R U . . .
 C02N C 0.48413(14) 0.3879(2) 0.0342(3) 0.0447(15) Uani 1 1 d . . . . .
 C02O C 0.37849(15) 0.4607(2) 0.3382(3) 0.0448(15) Uani 1 1 d . . . . .
 H02O H 0.389484 0.437166 0.319622 0.054 Uiso 1 1 calc R U . . .
 C02P C 0.45072(14) 0.34778(19) 0.1544(3) 0.0411(14) Uani 1 1 d . . . . .
 C02Q C 0.46157(17) 0.7643(2) 0.4050(4) 0.0550(17) Uani 1 1 d . . . . .
 H02Q H 0.477773 0.784421 0.414347 0.066 Uiso 1 1 calc R U . . .
 C02R C 0.27184(15) 0.4704(2) -0.0419(3) 0.0451(14) Uani 1 1 d . . . . .
 H02R H 0.259446 0.459997 -0.003905 0.054 Uiso 1 1 calc R U . . .
 F02S F 0.33996(18) 0.2355(2) 0.1465(4) 0.178(4) Uani 1 1 d . . . . .
 C02T C 0.42113(13) 0.46710(18) 0.0919(3) 0.0348(12) Uani 1 1 d . . . . .
 H02T H 0.412840 0.460751 0.046689 0.042 Uiso 1 1 calc R U . . .
 C02U C 0.34468(18) 0.6340(2) 0.7231(3) 0.0542(18) Uani 1 1 d . . . . .
 F02V F 0.3671(3) 0.3755(3) -0.3308(3) 0.173(4) Uani 1 1 d . . . . .
 C02W C 0.43136(18) 0.7698(2) 0.4327(3) 0.0542(17) Uani 1 1 d . . . . .
 H02W H 0.426966 0.793358 0.461555 0.065 Uiso 1 1 calc R U . . .
 C02X C 0.45818(13) 0.68407(19) 0.5634(3) 0.0402(13) Uani 1 1 d . . . . .
 H02X H 0.479548 0.693223 0.570632 0.048 Uiso 1 1 calc R U . . .
 C02Y C 0.44061(13) 0.43807(18) 0.1251(3) 0.0364(13) Uani 1 1 d . . . . .
 C02Z C 0.44165(16) 0.7454(2) 0.6384(4) 0.0519(16) Uani 1 1 d . . . . .
 C030 C 0.24871(17) 0.3388(2) 0.0852(4) 0.063(2) Uani 1 1 d . . . . .
 H030 H 0.237964 0.334867 0.128656 0.075 Uiso 1 1 calc R U . . .
 C031 C 0.43357(17) 0.4320(2) -0.1392(3) 0.0499(16) Uani 1 1 d . . . . .
 C032 C 0.35247(17) 0.5981(2) 0.0199(3) 0.0540(17) Uani 1 1 d . . . . .
 H032 H 0.339612 0.618306 -0.003301 0.065 Uiso 1 1 calc R U . . .
 C033 C 0.32289(15) 0.4627(2) 0.5482(4) 0.0486(15) Uani 1 1 d . . . . .
 H033 H 0.333544 0.446940 0.512980 0.058 Uiso 1 1 calc R U . . .
 C034 C 0.36374(14) 0.6055(2) 0.0883(3) 0.0446(15) Uani 1 1 d . . . . .
 H034 H 0.358221 0.630877 0.111198 0.054 Uiso 1 1 calc R U . . .
 F035 F 0.4593(2) 0.49395(17) -0.1874(4) 0.164(4) Uani 1 1 d . . . . .
 F036 F 0.3193(2) 0.3706(2) -0.3216(4) 0.161(3) Uani 1 1 d . . . . .
 F037 F 0.50515(15) 0.64488(18) 0.4758(6) 0.180(4) Uani 1 1 d . . . . .
 C038 C 0.25905(17) 0.5011(2) -0.0862(3) 0.0513(16) Uani 1 1 d . . . . .
 H038 H 0.237944 0.511189 -0.078734 0.062 Uiso 1 1 calc R U . . .
 C039 C 0.48196(16) 0.6239(2) 0.4957(4) 0.0556(18) Uani 1 1 d . . . . .
 C03A C 0.49030(15) 0.3552(2) -0.0135(3) 0.0436(14) Uani 1 1 d . . . . .
 H03A H 0.475260 0.333156 -0.018502 0.052 Uiso 1 1 calc R U . . .
 F03B F 0.30061(19) 0.5983(2) 0.7701(5) 0.177(4) Uani 1 1 d . . . . .
 C03C C 0.44908(16) 0.3643(2) -0.1875(3) 0.0458(15) Uani 1 1 d . . . . .
 C03D C 0.34886(16) 0.3564(2) -0.2164(3) 0.0455(15) Uani 1 1 d . . . . .
 C03E C 0.31821(18) 0.6957(2) 0.3329(4) 0.0551(17) Uani 1 1 d . . . . .
 H03E H 0.312509 0.678531 0.371550 0.066 Uiso 1 1 calc R U . . .
 F03F F 0.4475(2) 0.4951(2) -0.0799(5) 0.179(4) Uani 1 1 d . . . . .
 C03G C 0.24046(18) 0.3142(2) 0.0277(5) 0.068(2) Uani 1 1 d . . . . .
 H03G H 0.223800 0.294097 0.031909 0.081 Uiso 1 1 calc R U . . .
 C03H C 0.34019(15) 0.2902(2) -0.1559(3) 0.0466(15) Uani 1 1 d . . . . .
 C03I C 0.29033(18) 0.5089(3) 0.6502(4) 0.069(2) Uani 1 1 d . . . . .
 H03I H 0.279109 0.524632 0.684609 0.083 Uiso 1 1 calc R U . . .
 C03J C 0.45121(16) 0.4079(2) -0.1872(3) 0.0516(17) Uani 1 1 d . . . . .
 H03J H 0.464817 0.421410 -0.220075 0.062 Uiso 1 1 calc R U . . .
 C03K C 0.28413(16) 0.6050(2) 0.2590(3) 0.0498(16) Uani 1 1 d . . . . .
 H03K H 0.274003 0.629362 0.276965 0.060 Uiso 1 1 calc R U . . .
 C03L C 0.3736(2) 0.6235(3) 0.7551(4) 0.074(2) Uani 1 1 d . . . . .
 H03L H 0.374325 0.620378 0.804622 0.088 Uiso 1 1 calc R U . . .
 C03M C 0.3585(2) 0.7239(2) 0.2539(3) 0.0594(19) Uani 1 1 d . . . . .
 H03M H 0.380219 0.726307 0.239764 0.071 Uiso 1 1 calc R U . . .
 C03N C 0.4533(2) 0.2896(3) 0.2644(4) 0.077(3) Uani 1 1 d . . . . .
 H03N H 0.454252 0.269694 0.301440 0.093 Uiso 1 1 calc R U . . .
 C03O C 0.42258(17) 0.3293(2) 0.1808(3) 0.0550(17) Uani 1 1 d . . . . .
 H03O H 0.402465 0.336528 0.160990 0.066 Uiso 1 1 calc R U . . .
 C03P C 0.27756(19) 0.5169(2) -0.1414(4) 0.0579(18) Uani 1 1 d . . . . .
 H03P H 0.269134 0.538356 -0.170500 0.069 Uiso 1 1 calc R U . . .
 C03Q C 0.51836(16) 0.3549(2) -0.0536(4) 0.0590(19) Uani 1 1 d . . . . .
 H03Q H 0.522008 0.333032 -0.086296 0.071 Uiso 1 1 calc R U . . .
 C03R C 0.4693(2) 0.3407(3) -0.2440(4) 0.065(2) Uani 1 1 d . . . . .
 F03S F 0.4481(3) 0.2120(3) -0.0550(3) 0.209(6) Uani 1 1 d . . . . .
 C03T C 0.29502(18) 0.4468(3) 0.5798(5) 0.068(2) Uani 1 1 d . . . . .
 H03T H 0.287319 0.419956 0.566534 0.082 Uiso 1 1 calc R U . . .
 F03U F 0.4938(2) 0.5994(3) 0.5417(5) 0.192(5) Uani 1 1 d . . . . .
 F03V F 0.43051(18) 0.5930(2) 0.8182(3) 0.139(3) Uani 1 1 d . . . . .
 C03W C 0.48011(18) 0.3378(2) 0.1846(4) 0.0589(19) Uani 1 1 d . . . . .
 H03W H 0.499099 0.351025 0.168560 0.071 Uiso 1 1 calc R U . . .
 C03X C 0.3375(2) 0.2714(2) 0.1151(4) 0.062(2) Uani 1 1 d . . . . .
 C03Y C 0.4816(2) 0.3077(3) 0.2394(4) 0.071(2) Uani 1 1 d . . . . .
 H03Y H 0.501654 0.299890 0.258862 0.085 Uiso 1 1 calc R U . . .
 C03Z C 0.40630(18) 0.4563(2) 0.5886(4) 0.067(2) Uani 1 1 d . . . . .
 H03Z H 0.387087 0.440477 0.586503 0.081 Uiso 1 1 calc R U . . .
 C040 C 0.27877(18) 0.4696(3) 0.6296(5) 0.074(3) Uani 1 1 d . . . . .
 H040 H 0.259776 0.458692 0.650001 0.089 Uiso 1 1 calc R U . . .
 C042 C 0.46224(18) 0.4605(3) 0.6182(4) 0.062(2) Uani 1 1 d . . . . .
 H042 H 0.481268 0.448269 0.636087 0.075 Uiso 1 1 calc R U . . .
 C043 C 0.4239(2) 0.3004(3) 0.2358(4) 0.072(2) Uani 1 1 d . . . . .
 H043 H 0.404831 0.288194 0.253509 0.086 Uiso 1 1 calc R U . . .
 F044 F 0.47614(13) 0.5969(3) 0.4477(5) 0.199(5) Uani 1 1 d . . . . .
 C045 C 0.2806(2) 0.3493(3) -0.0419(4) 0.067(2) Uani 1 1 d . . . . .
 H045 H 0.291618 0.352266 -0.085228 0.081 Uiso 1 1 calc R U . . .
 C046 C 0.33247(18) 0.3179(2) -0.2091(3) 0.0558(18) Uani 1 1 d . . . . .
 H046 H 0.315905 0.310993 -0.241196 0.067 Uiso 1 1 calc R U . . .
 C047 C 0.5066(2) 0.4192(3) 0.0414(6) 0.113(4) Uani 1 1 d . . . . .
 H047 H 0.502662 0.441735 0.072660 0.136 Uiso 1 1 calc R U . . .
 C048 C 0.31251(16) 0.7150(2) 0.5265(5) 0.065(2) Uani 1 1 d . . . . .
 C049 C 0.4416(2) 0.2239(3) 0.0044(4) 0.067(2) Uani 1 1 d . . . . .
 C04A C 0.4349(2) 0.4373(3) 0.6143(4) 0.076(2) Uani 1 1 d . . . . .
 H04A H 0.434834 0.408802 0.628556 0.092 Uiso 1 1 calc R U . . .
 C04B C 0.3225(2) 0.2473(3) -0.1524(4) 0.0741(18) Uani 1 1 d . U . . .
 C04C C 0.40170(18) 0.6173(2) 0.7158(3) 0.0582(19) Uani 1 1 d . . . . .
 C04D C 0.5403(2) 0.3857(3) -0.0461(5) 0.096(3) Uani 1 1 d . . . . .
 H04D H 0.559190 0.385526 -0.073838 0.115 Uiso 1 1 calc R U . . .
 C04E C 0.3136(3) 0.6360(4) 0.7694(5) 0.097(3) Uani 1 1 d . . . . .
 C04F C 0.2943(2) 0.7185(3) 0.2967(5) 0.078(2) Uani 1 1 d . . . . .
 H04F H 0.272708 0.717325 0.312036 0.093 Uiso 1 1 calc R U . . .
 C04G C 0.28645(16) 0.6872(2) 0.5166(5) 0.078(3) Uani 1 1 d . . . . .
 H04G H 0.265578 0.698527 0.511219 0.094 Uiso 1 1 calc R U . . .
 C04H C 0.3414(3) 0.3838(3) -0.2815(4) 0.084(3) Uani 1 1 d . . . . .
 F04I F 0.4533(2) 0.5868(5) 0.7229(4) 0.253(8) Uani 1 1 d . . . . .
 C04J C 0.2563(2) 0.3187(3) -0.0349(5) 0.081(3) Uani 1 1 d . . . . .
 H04J H 0.250908 0.301429 -0.073699 0.097 Uiso 1 1 calc R U . . .
 C04K C 0.3344(3) 0.7455(3) 0.2175(5) 0.089(3) Uani 1 1 d . . . . .
 H04K H 0.339738 0.762331 0.178104 0.107 Uiso 1 1 calc R U . . .
 F04L F 0.33030(18) 0.78511(19) 0.5180(9) 0.295(5) Uani 1 1 d . U . . .
 C04M C 0.3024(3) 0.7422(3) 0.2395(6) 0.090(3) Uani 1 1 d . . . . .
 H04M H 0.286136 0.756570 0.214346 0.108 Uiso 1 1 calc R U . . .
 F04N F 0.4466(3) 0.6460(3) 0.7712(8) 0.257(7) Uani 1 1 d . . . . .
 C04O C 0.4384(3) 0.4800(3) -0.1404(6) 0.103(4) Uani 1 1 d . . . . .
 C04P C 0.43440(19) 0.5198(3) 0.5713(6) 0.103(4) Uani 1 1 d . . . . .
 H04P H 0.435044 0.548347 0.557364 0.123 Uiso 1 1 calc R U . . .
 F04Q F 0.46856(17) 0.2385(3) 0.0280(8) 0.219(6) Uani 1 1 d . . . . .
 C04R C 0.5353(3) 0.4179(4) 0.0025(7) 0.143(6) Uani 1 1 d . . . . .
 H04R H 0.551156 0.438736 0.009267 0.172 Uiso 1 1 calc R U . . .
 F04S F 0.3189(2) 0.6460(5) 0.8327(4) 0.274(8) Uani 1 1 d . . . . .
 C04T C 0.4624(2) 0.5004(3) 0.5968(8) 0.125(5) Uani 1 1 d . . . . .
 H04T H 0.481782 0.515977 0.598842 0.150 Uiso 1 1 calc R U . . .
 C04U C 0.4330(3) 0.6068(5) 0.7552(6) 0.111(4) Uani 1 1 d . . . . .
 C10 C 0.3051(2) 0.7628(3) 0.5172(8) 0.100(2) Uani 1 1 d . U . . .


_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
 Tb01 O008 2.296(3) . ?
 Tb01 O009 2.344(4) . ?
 Tb01 O00D 2.406(4) . ?
 Tb01 O00J 2.260(4) . ?
 Tb01 O00K 2.366(4) . ?
 Tb01 O00O 2.404(4) . ?
 Tb01 O00Q 2.402(4) . ?
 Tb01 O00R 2.366(4) . ?
 Tb02 O00B 2.349(4) . ?
 Tb02 O00C 2.407(4) . ?
 Tb02 O00E 2.278(3) . ?
 Tb02 O00F 2.363(4) . ?
 Tb02 O00H 2.264(4) . ?
 Tb02 O00L 2.408(4) . ?
 Tb02 O00M 2.398(4) . ?
 Tb02 O00N 2.336(4) . ?
 P003 O00H 1.495(4) . ?
 P003 C01C 1.789(5) . ?
 P003 C01I 1.780(5) . ?
 P003 C01P 1.783(6) . ?
 P004 O00J 1.486(4) . ?
 P004 C018 1.801(5) . ?
 P004 C01E 1.786(6) . ?
 P004 C01T 1.793(6) . ?
 P005 O008 1.497(4) . ?
 P005 C014 1.790(6) . ?
 P005 C020 1.790(5) . ?
 P005 C02F 1.793(6) . ?
 P006 O00E 1.488(4) . ?
 P006 C02N 1.781(6) . ?
 P006 C02P 1.810(6) . ?
 P006 C02Y 1.799(5) . ?
 F007 C02Z 1.328(7) . ?
 O009 C025 1.246(7) . ?
 F00A C02D 1.325(7) . ?
 O00B C03C 1.241(7) . ?
 O00C C031 1.232(7) . ?
 O00D C02C 1.220(7) . ?
 O00F C02G 1.249(7) . ?
 F00G C02D 1.319(7) . ?
 F00I C03R 1.296(8) . ?
 O00K C048 1.220(7) . ?
 O00L C027 1.249(7) . ?
 O00M C03D 1.238(7) . ?
 O00N C03H 1.245(7) . ?
 O00O C02A 1.231(7) . ?
 F00P C02Z 1.317(7) . ?
 O00Q C04C 1.246(7) . ?
 O00R C02U 1.258(8) . ?
 F00S C02Z 1.339(8) . ?
 F00T C02D 1.313(7) . ?
 F00W C04B 1.327(11) . ?
 F00X C04E 1.266(12) . ?
 F00Y C10 1.261(12) . ?
 F00Z C03X 1.312(9) . ?
 F010 C04H 1.246(10) . ?
 C011 C015 1.446(8) . ?
 C011 C01N 1.410(7) . ?
 C011 C02T 1.416(8) . ?
 F012 C03R 1.336(10) . ?
 C013 C01A 1.468(7) . ?
 C013 C01K 1.400(7) . ?
 C013 C01U 1.385(8) . ?
 C014 C01Y 1.389(8) . ?
 C014 C02I 1.365(8) . ?
 C015 C01F 1.414(7) . ?
 C015 C021 1.412(7) . ?
 C016 C01G 1.408(7) . ?
 C016 C01K 1.460(7) . ?
 C016 C01Q 1.408(7) . ?
 C017 C019 1.405(7) . ?
 C017 C01A 1.403(7) . ?
 C017 C01G 1.462(7) . ?
 C018 C019 1.376(7) . ?
 C018 C024 1.377(8) . ?
 C019 H019 0.9300 . ?
 C01A C02O 1.393(8) . ?
 C01B H01B 0.9300 . ?
 C01B C01C 1.374(8) . ?
 C01B C01K 1.410(7) . ?
 C01C C01V 1.377(7) . ?
 F01D C03X 1.336(9) . ?
 C01E C026 1.380(8) . ?
 C01E C033 1.379(9) . ?
 C01F H01F 0.9300 . ?
 C01F C01H 1.365(9) . ?
 C01G C02B 1.401(8) . ?
 C01H H01H 0.9300 . ?
 C01H C032 1.380(9) . ?
 C01I C01X 1.394(7) . ?
 C01I C02R 1.380(8) . ?
 F01J C04B 1.303(9) . ?
 F01L C03R 1.274(9) . ?
 C01M C01R 1.402(7) . ?
 C01M C021 1.467(7) . ?
 C01M C023 1.413(8) . ?
 C01N C01S 1.384(8) . ?
 C01N C023 1.447(7) . ?
 F01O C04B 1.324(9) . ?
 C01P C029 1.372(8) . ?
 C01P C045 1.381(9) . ?
 C01Q H01Q 0.9300 . ?
 C01Q C02J 1.354(8) . ?
 C01R H01R 0.9300 . ?
 C01R C020 1.383(7) . ?
 C01S H01S 0.9300 . ?
 C01S C02E 1.362(8) . ?
 C01T C03Z 1.370(9) . ?
 C01T C04P 1.340(10) . ?
 C01U H01U 0.9300 . ?
 C01U C01V 1.378(7) . ?
 C01V H01V 0.9300 . ?
 C01W H01W 0.9300 . ?
 C01W C020 1.397(8) . ?
 C01W C02L 1.374(8) . ?
 C01X H01X 0.9300 . ?
 C01X C028 1.377(8) . ?
 C01Y H01Y 0.9300 . ?
 C01Y C02W 1.382(9) . ?
 F01Z C049 1.293(9) . ?
 C021 C034 1.392(8) . ?
 F022 C04O 1.329(14) . ?
 C023 C02L 1.406(7) . ?
 C024 H024 0.9300 . ?
 C024 C02O 1.382(8) . ?
 C025 C02X 1.369(8) . ?
 C025 C02Z 1.527(8) . ?
 C026 H026 0.9300 . ?
 C026 C03I 1.389(10) . ?
 C027 C02H 1.369(8) . ?
 C027 C03X 1.513(8) . ?
 C028 H028 0.9300 . ?
 C028 C03P 1.365(10) . ?
 C029 H029 0.9300 . ?
 C029 C030 1.395(9) . ?
 C02A C02X 1.402(8) . ?
 C02A C039 1.506(8) . ?
 C02B H02B 0.9300 . ?
 C02B C03K 1.363(8) . ?
 C02C C02D 1.523(8) . ?
 C02C C04G 1.378(9) . ?
 C02E H02E 0.9300 . ?
 C02E C02Y 1.393(7) . ?
 C02F C03E 1.361(9) . ?
 C02F C03M 1.389(8) . ?
 C02G C02H 1.389(8) . ?
 C02G C049 1.522(9) . ?
 C02H H02H 0.9300 . ?
 C02I H02I 0.9300 . ?
 C02I C02M 1.372(9) . ?
 C02J H02J 0.9300 . ?
 C02J C03K 1.385(8) . ?
 F02K C10 1.291(14) . ?
 C02L H02L 0.9300 . ?
 C02M H02M 0.9300 . ?
 C02M C02Q 1.377(9) . ?
 C02N C03A 1.378(8) . ?
 C02N C047 1.349(10) . ?
 C02O H02O 0.9300 . ?
 C02P C03O 1.380(9) . ?
 C02P C03W 1.364(8) . ?
 C02Q H02Q 0.9300 . ?
 C02Q C02W 1.351(9) . ?
 C02R H02R 0.9300 . ?
 C02R C038 1.372(8) . ?
 F02S C03X 1.270(8) . ?
 C02T H02T 0.9300 . ?
 C02T C02Y 1.358(8) . ?
 C02U C03L 1.365(11) . ?
 C02U C04E 1.536(11) . ?
 F02V C04H 1.422(13) . ?
 C02W H02W 0.9300 . ?
 C02X H02X 0.9300 . ?
 C030 H030 0.9300 . ?
 C030 C03G 1.363(11) . ?
 C031 C03J 1.377(9) . ?
 C031 C04O 1.514(11) . ?
 C032 H032 0.9300 . ?
 C032 C034 1.377(8) . ?
 C033 H033 0.9300 . ?
 C033 C03T 1.377(9) . ?
 C034 H034 0.9300 . ?
 F035 C04O 1.301(9) . ?
 F036 C04H 1.244(9) . ?
 F037 C039 1.213(8) . ?
 C038 H038 0.9300 . ?
 C038 C03P 1.371(9) . ?
 C039 F03U 1.248(10) . ?
 C039 F044 1.253(9) . ?
 C03A H03A 0.9300 . ?
 C03A C03Q 1.370(9) . ?
 F03B C04E 1.296(13) . ?
 C03C C03J 1.366(9) . ?
 C03C C03R 1.531(8) . ?
 C03D C046 1.387(9) . ?
 C03D C04H 1.516(10) . ?
 C03E H03E 0.9300 . ?
 C03E C04F 1.385(10) . ?
 F03F C04O 1.278(14) . ?
 C03G H03G 0.9300 . ?
 C03G C04J 1.345(11) . ?
 C03H C046 1.356(9) . ?
 C03H C04B 1.527(10) . ?
 C03I H03I 0.9300 . ?
 C03I C040 1.375(12) . ?
 C03J H03J 0.9300 . ?
 C03K H03K 0.9300 . ?
 C03L H03L 0.9300 . ?
 C03L C04C 1.377(11) . ?
 C03M H03M 0.9300 . ?
 C03M C04K 1.374(11) . ?
 C03N H03N 0.9300 . ?
 C03N C03Y 1.371(12) . ?
 C03N C043 1.358(11) . ?
 C03O H03O 0.9300 . ?
 C03O C043 1.370(10) . ?
 C03P H03P 0.9300 . ?
 C03Q H03Q 0.9300 . ?
 C03Q C04D 1.325(10) . ?
 F03S C049 1.198(9) . ?
 C03T H03T 0.9300 . ?
 C03T C040 1.347(12) . ?
 F03V C04U 1.257(10) . ?
 C03W H03W 0.9300 . ?
 C03W C03Y 1.392(10) . ?
 C03Y H03Y 0.9300 . ?
 C03Z H03Z 0.9300 . ?
 C03Z C04A 1.396(10) . ?
 C040 H040 0.9300 . ?
 C042 H042 0.9300 . ?
 C042 C04A 1.338(11) . ?
 C042 C04T 1.312(11) . ?
 C043 H043 0.9300 . ?
 C045 H045 0.9300 . ?
 C045 C04J 1.387(10) . ?
 C046 H046 0.9300 . ?
 C047 H047 0.9300 . ?
 C047 C04R 1.382(12) . ?
 C048 C04G 1.389(10) . ?
 C048 C10 1.536(11) . ?
 C049 F04Q 1.274(11) . ?
 C04A H04A 0.9300 . ?
 C04C C04U 1.512(12) . ?
 C04D H04D 0.9300 . ?
 C04D C04R 1.369(12) . ?
 C04E F04S 1.241(12) . ?
 C04F H04F 0.9300 . ?
 C04F C04M 1.341(13) . ?
 C04G H04G 0.9300 . ?
 F04I C04U 1.204(16) . ?
 C04J H04J 0.9300 . ?
 C04K H04K 0.9300 . ?
 C04K C04M 1.377(14) . ?
 F04L C10 1.244(11) . ?
 C04M H04M 0.9300 . ?
 F04N C04U 1.380(14) . ?
 C04P H04P 0.9300 . ?
 C04P C04T 1.382(11) . ?
 C04R H04R 0.9300 . ?
 C04T H04T 0.9300 . ?

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
 O008 Tb01 O009 103.03(13) . . ?
 O008 Tb01 O00D 74.86(12) . . ?
 O008 Tb01 O00K 76.19(13) . . ?
 O008 Tb01 O00O 76.03(12) . . ?
 O008 Tb01 O00Q 146.94(13) . . ?
 O008 Tb01 O00R 142.56(14) . . ?
 O009 Tb01 O00D 141.47(13) . . ?
 O009 Tb01 O00K 69.74(13) . . ?
 O009 Tb01 O00O 72.42(13) . . ?
 O009 Tb01 O00Q 71.57(13) . . ?
 O009 Tb01 O00R 93.02(13) . . ?
 O00J Tb01 O008 91.57(13) . . ?
 O00J Tb01 O009 142.22(13) . . ?
 O00J Tb01 O00D 75.80(13) . . ?
 O00J Tb01 O00K 148.04(13) . . ?
 O00J Tb01 O00O 77.82(13) . . ?
 O00J Tb01 O00Q 77.24(14) . . ?
 O00J Tb01 O00R 96.04(14) . . ?
 O00K Tb01 O00D 72.54(13) . . ?
 O00K Tb01 O00O 125.67(13) . . ?
 O00K Tb01 O00Q 127.77(14) . . ?
 O00K Tb01 O00R 78.17(15) . . ?
 O00O Tb01 O00D 139.73(12) . . ?
 O00Q Tb01 O00D 129.99(13) . . ?
 O00Q Tb01 O00O 71.24(13) . . ?
 O00R Tb01 O00D 71.69(13) . . ?
 O00R Tb01 O00O 141.40(14) . . ?
 O00R Tb01 O00Q 70.24(15) . . ?
 O00B Tb02 O00C 72.05(13) . . ?
 O00B Tb02 O00F 71.57(13) . . ?
 O00B Tb02 O00L 142.75(13) . . ?
 O00B Tb02 O00M 73.46(14) . . ?
 O00C Tb02 O00L 139.16(12) . . ?
 O00E Tb02 O00B 104.16(13) . . ?
 O00E Tb02 O00C 73.02(13) . . ?
 O00E Tb02 O00F 78.90(13) . . ?
 O00E Tb02 O00L 76.41(13) . . ?
 O00E Tb02 O00M 144.14(14) . . ?
 O00E Tb02 O00N 143.88(14) . . ?
 O00F Tb02 O00C 126.05(14) . . ?
 O00F Tb02 O00L 72.08(13) . . ?
 O00F Tb02 O00M 130.37(14) . . ?
 O00H Tb02 O00B 142.84(13) . . ?
 O00H Tb02 O00C 78.86(13) . . ?
 O00H Tb02 O00E 88.49(13) . . ?
 O00H Tb02 O00F 145.58(13) . . ?
 O00H Tb02 O00L 73.87(13) . . ?
 O00H Tb02 O00M 76.07(13) . . ?
 O00H Tb02 O00N 97.51(14) . . ?
 O00M Tb02 O00C 72.34(13) . . ?
 O00M Tb02 O00L 127.44(13) . . ?
 O00N Tb02 O00B 92.33(14) . . ?
 O00N Tb02 O00C 143.09(13) . . ?
 O00N Tb02 O00F 76.22(14) . . ?
 O00N Tb02 O00L 71.28(13) . . ?
 O00N Tb02 O00M 71.17(14) . . ?
 O00H P003 C01C 110.8(2) . . ?
 O00H P003 C01I 109.8(2) . . ?
 O00H P003 C01P 112.3(2) . . ?
 C01I P003 C01C 109.7(2) . . ?
 C01I P003 C01P 106.5(3) . . ?
 C01P P003 C01C 107.5(2) . . ?
 O00J P004 C018 111.7(2) . . ?
 O00J P004 C01E 111.1(3) . . ?
 O00J P004 C01T 111.5(2) . . ?
 C01E P004 C018 105.0(3) . . ?
 C01E P004 C01T 109.1(3) . . ?
 C01T P004 C018 108.1(3) . . ?
 O008 P005 C014 111.6(2) . . ?
 O008 P005 C020 110.1(2) . . ?
 O008 P005 C02F 110.6(3) . . ?
 C014 P005 C02F 106.4(3) . . ?
 C020 P005 C014 109.0(3) . . ?
 C020 P005 C02F 109.0(3) . . ?
 O00E P006 C02N 111.9(2) . . ?
 O00E P006 C02P 109.9(3) . . ?
 O00E P006 C02Y 110.1(2) . . ?
 C02N P006 C02P 108.3(3) . . ?
 C02N P006 C02Y 109.2(3) . . ?
 C02Y P006 C02P 107.4(3) . . ?
 P005 O008 Tb01 150.7(2) . . ?
 C025 O009 Tb01 133.7(4) . . ?
 C03C O00B Tb02 134.8(4) . . ?
 C031 O00C Tb02 132.8(4) . . ?
 C02C O00D Tb01 134.2(4) . . ?
 P006 O00E Tb02 157.4(2) . . ?
 C02G O00F Tb02 134.1(4) . . ?
 P003 O00H Tb02 162.4(2) . . ?
 P004 O00J Tb01 176.2(2) . . ?
 C048 O00K Tb01 134.3(4) . . ?
 C027 O00L Tb02 133.1(4) . . ?
 C03D O00M Tb02 133.8(4) . . ?
 C03H O00N Tb02 136.4(4) . . ?
 C02A O00O Tb01 133.0(4) . . ?
 C04C O00Q Tb01 136.2(5) . . ?
 C02U O00R Tb01 137.1(4) . . ?
 C01N C011 C015 120.3(5) . . ?
 C01N C011 C02T 117.5(5) . . ?
 C02T C011 C015 122.2(5) . . ?
 C01K C013 C01A 119.5(5) . . ?
 C01U C013 C01A 121.3(5) . . ?
 C01U C013 C01K 119.2(5) . . ?
 C01Y C014 P005 116.2(4) . . ?
 C02I C014 P005 124.5(4) . . ?
 C02I C014 C01Y 119.3(6) . . ?
 C01F C015 C011 121.7(5) . . ?
 C021 C015 C011 120.7(4) . . ?
 C021 C015 C01F 117.5(5) . . ?
 C01G C016 C01K 119.8(5) . . ?
 C01Q C016 C01G 118.2(5) . . ?
 C01Q C016 C01K 122.0(5) . . ?
 C019 C017 C01G 121.3(5) . . ?
 C01A C017 C019 118.6(5) . . ?
 C01A C017 C01G 120.2(5) . . ?
 C019 C018 P004 116.6(4) . . ?
 C019 C018 C024 120.4(5) . . ?
 C024 C018 P004 122.8(4) . . ?
 C017 C019 H019 119.4 . . ?
 C018 C019 C017 121.2(5) . . ?
 C018 C019 H019 119.4 . . ?
 C017 C01A C013 119.9(5) . . ?
 C02O C01A C013 121.4(5) . . ?
 C02O C01A C017 118.7(5) . . ?
 C01C C01B H01B 119.1 . . ?
 C01C C01B C01K 121.7(5) . . ?
 C01K C01B H01B 119.1 . . ?
 C01B C01C P003 122.9(4) . . ?
 C01B C01C C01V 118.8(5) . . ?
 C01V C01C P003 118.3(4) . . ?
 C026 C01E P004 119.5(5) . . ?
 C033 C01E P004 121.1(5) . . ?
 C033 C01E C026 119.4(6) . . ?
 C015 C01F H01F 119.3 . . ?
 C01H C01F C015 121.3(6) . . ?
 C01H C01F H01F 119.3 . . ?
 C016 C01G C017 119.8(5) . . ?
 C02B C01G C016 119.1(5) . . ?
 C02B C01G C017 121.1(5) . . ?
 C01F C01H H01H 119.6 . . ?
 C01F C01H C032 120.8(6) . . ?
 C032 C01H H01H 119.6 . . ?
 C01X C01I P003 118.8(4) . . ?
 C02R C01I P003 121.9(4) . . ?
 C02R C01I C01X 119.3(5) . . ?
 C013 C01K C016 120.6(4) . . ?
 C013 C01K C01B 118.4(5) . . ?
 C01B C01K C016 121.0(5) . . ?
 C01R C01M C021 121.0(5) . . ?
 C01R C01M C023 119.4(5) . . ?
 C023 C01M C021 119.7(5) . . ?
 C011 C01N C023 119.4(5) . . ?
 C01S C01N C011 118.9(5) . . ?
 C01S C01N C023 121.7(5) . . ?
 C029 C01P P003 122.9(5) . . ?
 C029 C01P C045 119.4(6) . . ?
 C045 C01P P003 117.7(5) . . ?
 C016 C01Q H01Q 119.5 . . ?
 C02J C01Q C016 121.0(5) . . ?
 C02J C01Q H01Q 119.5 . . ?
 C01M C01R H01R 119.5 . . ?
 C020 C01R C01M 120.9(5) . . ?
 C020 C01R H01R 119.5 . . ?
 C01N C01S H01S 118.9 . . ?
 C02E C01S C01N 122.3(5) . . ?
 C02E C01S H01S 118.9 . . ?
 C03Z C01T P004 122.9(5) . . ?
 C04P C01T P004 119.3(5) . . ?
 C04P C01T C03Z 117.7(6) . . ?
 C013 C01U H01U 119.5 . . ?
 C01V C01U C013 121.0(5) . . ?
 C01V C01U H01U 119.5 . . ?
 C01C C01V C01U 120.9(5) . . ?
 C01C C01V H01V 119.6 . . ?
 C01U C01V H01V 119.6 . . ?
 C020 C01W H01W 120.0 . . ?
 C02L C01W H01W 120.0 . . ?
 C02L C01W C020 120.1(5) . . ?
 C01I C01X H01X 120.3 . . ?
 C028 C01X C01I 119.5(6) . . ?
 C028 C01X H01X 120.3 . . ?
 C014 C01Y H01Y 120.2 . . ?
 C02W C01Y C014 119.6(6) . . ?
 C02W C01Y H01Y 120.2 . . ?
 C01R C020 P005 123.4(4) . . ?
 C01R C020 C01W 119.7(5) . . ?
 C01W C020 P005 116.7(4) . . ?
 C015 C021 C01M 119.0(5) . . ?
 C034 C021 C015 119.6(5) . . ?
 C034 C021 C01M 121.4(5) . . ?
 C01M C023 C01N 120.8(5) . . ?
 C02L C023 C01M 118.5(5) . . ?
 C02L C023 C01N 120.6(5) . . ?
 C018 C024 H024 120.4 . . ?
 C018 C024 C02O 119.1(5) . . ?
 C02O C024 H024 120.4 . . ?
 O009 C025 C02X 129.8(5) . . ?
 O009 C025 C02Z 113.2(5) . . ?
 C02X C025 C02Z 117.0(5) . . ?
 C01E C026 H026 120.4 . . ?
 C01E C026 C03I 119.3(7) . . ?
 C03I C026 H026 120.4 . . ?
 O00L C027 C02H 127.6(5) . . ?
 O00L C027 C03X 114.6(5) . . ?
 C02H C027 C03X 117.8(5) . . ?
 C01X C028 H028 119.9 . . ?
 C03P C028 C01X 120.3(6) . . ?
 C03P C028 H028 119.9 . . ?
 C01P C029 H029 120.5 . . ?
 C01P C029 C030 119.0(6) . . ?
 C030 C029 H029 120.5 . . ?
 O00O C02A C02X 128.1(5) . . ?
 O00O C02A C039 115.8(5) . . ?
 C02X C02A C039 116.2(5) . . ?
 C01G C02B H02B 119.5 . . ?
 C03K C02B C01G 121.1(5) . . ?
 C03K C02B H02B 119.5 . . ?
 O00D C02C C02D 115.9(5) . . ?
 O00D C02C C04G 127.3(6) . . ?
 C04G C02C C02D 116.6(6) . . ?
 F00A C02D C02C 113.5(5) . . ?
 F00G C02D F00A 105.7(5) . . ?
 F00G C02D C02C 111.9(5) . . ?
 F00T C02D F00A 107.3(5) . . ?
 F00T C02D F00G 107.4(6) . . ?
 F00T C02D C02C 110.6(5) . . ?
 C01S C02E H02E 120.2 . . ?
 C01S C02E C02Y 119.6(6) . . ?
 C02Y C02E H02E 120.2 . . ?
 C03E C02F P005 119.3(5) . . ?
 C03E C02F C03M 119.9(6) . . ?
 C03M C02F P005 120.8(5) . . ?
 O00F C02G C02H 128.0(6) . . ?
 O00F C02G C049 113.2(6) . . ?
 C02H C02G C049 118.7(6) . . ?
 C027 C02H C02G 122.4(6) . . ?
 C027 C02H H02H 118.8 . . ?
 C02G C02H H02H 118.8 . . ?
 C014 C02I H02I 119.6 . . ?
 C014 C02I C02M 120.9(6) . . ?
 C02M C02I H02I 119.6 . . ?
 C01Q C02J H02J 119.5 . . ?
 C01Q C02J C03K 120.9(6) . . ?
 C03K C02J H02J 119.5 . . ?
 C01W C02L C023 121.4(5) . . ?
 C01W C02L H02L 119.3 . . ?
 C023 C02L H02L 119.3 . . ?
 C02I C02M H02M 120.3 . . ?
 C02I C02M C02Q 119.3(6) . . ?
 C02Q C02M H02M 120.3 . . ?
 C03A C02N P006 118.5(5) . . ?
 C047 C02N P006 122.9(5) . . ?
 C047 C02N C03A 118.6(6) . . ?
 C01A C02O H02O 119.0 . . ?
 C024 C02O C01A 122.0(5) . . ?
 C024 C02O H02O 119.0 . . ?
 C03O C02P P006 118.2(4) . . ?
 C03W C02P P006 122.3(6) . . ?
 C03W C02P C03O 119.4(6) . . ?
 C02M C02Q H02Q 119.6 . . ?
 C02W C02Q C02M 120.7(6) . . ?
 C02W C02Q H02Q 119.6 . . ?
 C01I C02R H02R 119.7 . . ?
 C038 C02R C01I 120.6(6) . . ?
 C038 C02R H02R 119.7 . . ?
 C011 C02T H02T 119.0 . . ?
 C02Y C02T C011 122.1(5) . . ?
 C02Y C02T H02T 119.0 . . ?
 O00R C02U C03L 127.3(6) . . ?
 O00R C02U C04E 114.0(7) . . ?
 C03L C02U C04E 118.7(7) . . ?
 C01Y C02W H02W 119.9 . . ?
 C02Q C02W C01Y 120.1(6) . . ?
 C02Q C02W H02W 119.9 . . ?
 C025 C02X C02A 120.6(5) . . ?
 C025 C02X H02X 119.7 . . ?
 C02A C02X H02X 119.7 . . ?
 C02E C02Y P006 121.7(5) . . ?
 C02T C02Y P006 118.8(4) . . ?
 C02T C02Y C02E 119.5(5) . . ?
 F007 C02Z F00S 106.4(6) . . ?
 F007 C02Z C025 111.5(5) . . ?
 F00P C02Z F007 107.6(5) . . ?
 F00P C02Z F00S 106.9(6) . . ?
 F00P C02Z C025 114.0(6) . . ?
 F00S C02Z C025 110.0(5) . . ?
 C029 C030 H030 119.6 . . ?
 C03G C030 C029 120.8(7) . . ?
 C03G C030 H030 119.6 . . ?
 O00C C031 C03J 129.2(6) . . ?
 O00C C031 C04O 112.9(6) . . ?
 C03J C031 C04O 117.8(6) . . ?
 C01H C032 H032 120.3 . . ?
 C034 C032 C01H 119.4(6) . . ?
 C034 C032 H032 120.3 . . ?
 C01E C033 H033 119.9 . . ?
 C03T C033 C01E 120.2(7) . . ?
 C03T C033 H033 119.9 . . ?
 C021 C034 H034 119.3 . . ?
 C032 C034 C021 121.4(6) . . ?
 C032 C034 H034 119.3 . . ?
 C02R C038 H038 120.2 . . ?
 C03P C038 C02R 119.7(6) . . ?
 C03P C038 H038 120.2 . . ?
 F037 C039 C02A 118.4(6) . . ?
 F037 C039 F03U 104.0(8) . . ?
 F037 C039 F044 107.1(8) . . ?
 F03U C039 C02A 111.9(7) . . ?
 F03U C039 F044 98.7(9) . . ?
 F044 C039 C02A 114.5(6) . . ?
 C02N C03A H03A 119.6 . . ?
 C03Q C03A C02N 120.7(6) . . ?
 C03Q C03A H03A 119.6 . . ?
 O00B C03C C03J 128.5(6) . . ?
 O00B C03C C03R 114.6(6) . . ?
 C03J C03C C03R 116.8(6) . . ?
 O00M C03D C046 128.1(6) . . ?
 O00M C03D C04H 113.7(6) . . ?
 C046 C03D C04H 118.2(6) . . ?
 C02F C03E H03E 119.9 . . ?
 C02F C03E C04F 120.2(7) . . ?
 C04F C03E H03E 119.9 . . ?
 C030 C03G H03G 119.9 . . ?
 C04J C03G C030 120.3(7) . . ?
 C04J C03G H03G 119.9 . . ?
 O00N C03H C046 127.6(6) . . ?
 O00N C03H C04B 113.5(6) . . ?
 C046 C03H C04B 118.9(6) . . ?
 C026 C03I H03I 119.8 . . ?
 C040 C03I C026 120.4(8) . . ?
 C040 C03I H03I 119.8 . . ?
 C031 C03J H03J 119.4 . . ?
 C03C C03J C031 121.2(6) . . ?
 C03C C03J H03J 119.4 . . ?
 C02B C03K C02J 119.6(6) . . ?
 C02B C03K H03K 120.2 . . ?
 C02J C03K H03K 120.2 . . ?
 C02U C03L H03L 119.2 . . ?
 C02U C03L C04C 121.7(6) . . ?
 C04C C03L H03L 119.2 . . ?
 C02F C03M H03M 120.4 . . ?
 C04K C03M C02F 119.2(8) . . ?
 C04K C03M H03M 120.4 . . ?
 C03Y C03N H03N 119.7 . . ?
 C043 C03N H03N 119.7 . . ?
 C043 C03N C03Y 120.7(7) . . ?
 C02P C03O H03O 119.6 . . ?
 C043 C03O C02P 120.7(7) . . ?
 C043 C03O H03O 119.6 . . ?
 C028 C03P C038 120.7(6) . . ?
 C028 C03P H03P 119.7 . . ?
 C038 C03P H03P 119.7 . . ?
 C03A C03Q H03Q 119.8 . . ?
 C04D C03Q C03A 120.3(7) . . ?
 C04D C03Q H03Q 119.8 . . ?
 F00I C03R F012 104.9(7) . . ?
 F00I C03R C03C 112.4(5) . . ?
 F012 C03R C03C 108.6(6) . . ?
 F01L C03R F00I 110.5(7) . . ?
 F01L C03R F012 104.3(7) . . ?
 F01L C03R C03C 115.2(7) . . ?
 C033 C03T H03T 119.6 . . ?
 C040 C03T C033 120.8(8) . . ?
 C040 C03T H03T 119.6 . . ?
 C02P C03W H03W 120.1 . . ?
 C02P C03W C03Y 119.8(8) . . ?
 C03Y C03W H03W 120.1 . . ?
 F00Z C03X F01D 103.1(6) . . ?
 F00Z C03X C027 111.4(6) . . ?
 F01D C03X C027 110.5(6) . . ?
 F02S C03X F00Z 107.4(8) . . ?
 F02S C03X F01D 108.6(7) . . ?
 F02S C03X C027 115.1(6) . . ?
 C03N C03Y C03W 119.6(7) . . ?
 C03N C03Y H03Y 120.2 . . ?
 C03W C03Y H03Y 120.2 . . ?
 C01T C03Z H03Z 119.7 . . ?
 C01T C03Z C04A 120.7(7) . . ?
 C04A C03Z H03Z 119.7 . . ?
 C03I C040 H040 120.1 . . ?
 C03T C040 C03I 119.9(7) . . ?
 C03T C040 H040 120.1 . . ?
 C04A C042 H042 119.8 . . ?
 C04T C042 H042 119.8 . . ?
 C04T C042 C04A 120.4(7) . . ?
 C03N C043 C03O 119.7(8) . . ?
 C03N C043 H043 120.2 . . ?
 C03O C043 H043 120.2 . . ?
 C01P C045 H045 119.8 . . ?
 C01P C045 C04J 120.4(7) . . ?
 C04J C045 H045 119.8 . . ?
 C03D C046 H046 119.5 . . ?
 C03H C046 C03D 121.1(6) . . ?
 C03H C046 H046 119.5 . . ?
 C02N C047 H047 119.8 . . ?
 C02N C047 C04R 120.3(8) . . ?
 C04R C047 H047 119.8 . . ?
 O00K C048 C04G 128.5(7) . . ?
 O00K C048 C10 115.1(7) . . ?
 C04G C048 C10 116.4(7) . . ?
 F01Z C049 C02G 114.7(6) . . ?
 F03S C049 F01Z 109.7(9) . . ?
 F03S C049 C02G 115.1(7) . . ?
 F03S C049 F04Q 103.8(10) . . ?
 F04Q C049 F01Z 102.3(8) . . ?
 F04Q C049 C02G 109.9(8) . . ?
 C03Z C04A H04A 120.4 . . ?
 C042 C04A C03Z 119.2(7) . . ?
 C042 C04A H04A 120.4 . . ?
 F00W C04B C03H 109.9(7) . . ?
 F01J C04B F00W 107.1(8) . . ?
 F01J C04B F01O 108.8(7) . . ?
 F01J C04B C03H 112.1(6) . . ?
 F01O C04B F00W 106.2(7) . . ?
 F01O C04B C03H 112.5(7) . . ?
 O00Q C04C C03L 126.9(6) . . ?
 O00Q C04C C04U 114.5(8) . . ?
 C03L C04C C04U 118.6(7) . . ?
 C03Q C04D H04D 119.9 . . ?
 C03Q C04D C04R 120.2(8) . . ?
 C04R C04D H04D 119.9 . . ?
 F00X C04E C02U 114.9(8) . . ?
 F00X C04E F03B 103.2(10) . . ?
 F03B C04E C02U 108.1(9) . . ?
 F04S C04E F00X 109.2(12) . . ?
 F04S C04E C02U 113.7(10) . . ?
 F04S C04E F03B 107.0(10) . . ?
 C03E C04F H04F 120.0 . . ?
 C04M C04F C03E 119.9(9) . . ?
 C04M C04F H04F 120.0 . . ?
 C02C C04G C048 122.6(6) . . ?
 C02C C04G H04G 118.7 . . ?
 C048 C04G H04G 118.7 . . ?
 F010 C04H F02V 99.2(8) . . ?
 F010 C04H C03D 116.3(6) . . ?
 F02V C04H C03D 105.4(8) . . ?
 F036 C04H F010 119.0(9) . . ?
 F036 C04H F02V 95.0(8) . . ?
 F036 C04H C03D 116.2(8) . . ?
 C03G C04J C045 120.0(7) . . ?
 C03G C04J H04J 120.0 . . ?
 C045 C04J H04J 120.0 . . ?
 C03M C04K H04K 120.1 . . ?
 C03M C04K C04M 119.9(8) . . ?
 C04M C04K H04K 120.1 . . ?
 C04F C04M C04K 120.9(8) . . ?
 C04F C04M H04M 119.6 . . ?
 C04K C04M H04M 119.6 . . ?
 F022 C04O C031 110.3(9) . . ?
 F035 C04O F022 108.4(11) . . ?
 F035 C04O C031 115.4(8) . . ?
 F03F C04O F022 102.6(9) . . ?
 F03F C04O C031 113.0(10) . . ?
 F03F C04O F035 106.2(10) . . ?
 C01T C04P H04P 119.6 . . ?
 C01T C04P C04T 120.7(8) . . ?
 C04T C04P H04P 119.6 . . ?
 C047 C04R H04R 120.1 . . ?
 C04D C04R C047 119.8(8) . . ?
 C04D C04R H04R 120.1 . . ?
 C042 C04T C04P 121.2(8) . . ?
 C042 C04T H04T 119.4 . . ?
 C04P C04T H04T 119.4 . . ?
 F03V C04U C04C 117.5(10) . . ?
 F03V C04U F04N 97.8(11) . . ?
 F04I C04U F03V 110.2(12) . . ?
 F04I C04U C04C 117.2(10) . . ?
 F04I C04U F04N 106.9(12) . . ?
 F04N C04U C04C 104.7(10) . . ?
 F00Y C10 F02K 104.5(8) . . ?
 F00Y C10 C048 115.2(9) . . ?
 F02K C10 C048 111.4(10) . . ?
 F04L C10 F00Y 108.8(12) . . ?
 F04L C10 F02K 103.6(11) . . ?
 F04L C10 C048 112.5(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
 Tb01 O009 C025 C02X 12.3(10) . . . . ?
 Tb01 O009 C025 C02Z -164.8(4) . . . . ?
 Tb01 O00D C02C C02D -178.5(3) . . . . ?
 Tb01 O00D C02C C04G 6.2(11) . . . . ?
 Tb01 O00K C048 C04G 5.4(14) . . . . ?
 Tb01 O00K C048 C10 -173.1(7) . . . . ?
 Tb01 O00O C02A C02X -13.3(9) . . . . ?
 Tb01 O00O C02A C039 166.6(4) . . . . ?
 Tb01 O00Q C04C C03L 9.2(12) . . . . ?
 Tb01 O00Q C04C C04U -170.6(6) . . . . ?
 Tb01 O00R C02U C03L 2.2(12) . . . . ?
 Tb01 O00R C02U C04E -176.0(6) . . . . ?
 Tb02 O00B C03C C03J 13.5(11) . . . . ?
 Tb02 O00B C03C C03R -168.3(5) . . . . ?
 Tb02 O00C C031 C03J -6.4(11) . . . . ?
 Tb02 O00C C031 C04O 175.5(7) . . . . ?
 Tb02 O00F C02G C02H -10.9(9) . . . . ?
 Tb02 O00F C02G C049 170.8(5) . . . . ?
 Tb02 O00L C027 C02H 14.7(9) . . . . ?
 Tb02 O00L C027 C03X -168.9(4) . . . . ?
 Tb02 O00M C03D C046 -4.8(10) . . . . ?
 Tb02 O00M C03D C04H 175.5(6) . . . . ?
 Tb02 O00N C03H C046 11.3(11) . . . . ?
 Tb02 O00N C03H C04B -168.6(5) . . . . ?
 P003 C01C C01V C01U 179.9(5) . . . . ?
 P003 C01I C01X C028 178.9(4) . . . . ?
 P003 C01I C02R C038 -178.7(5) . . . . ?
 P003 C01P C029 C030 179.7(5) . . . . ?
 P003 C01P C045 C04J -179.5(7) . . . . ?
 P004 C018 C019 C017 -173.2(4) . . . . ?
 P004 C018 C024 C02O 172.3(5) . . . . ?
 P004 C01E C026 C03I 178.8(5) . . . . ?
 P004 C01E C033 C03T -179.7(5) . . . . ?
 P004 C01T C03Z C04A 176.4(6) . . . . ?
 P004 C01T C04P C04T -176.4(10) . . . . ?
 P005 C014 C01Y C02W 179.4(5) . . . . ?
 P005 C014 C02I C02M -179.0(5) . . . . ?
 P005 C02F C03E C04F 179.3(5) . . . . ?
 P005 C02F C03M C04K 179.2(6) . . . . ?
 P006 C02N C03A C03Q 178.8(5) . . . . ?
 P006 C02N C047 C04R 179.0(10) . . . . ?
 P006 C02P C03O C043 -178.2(6) . . . . ?
 P006 C02P C03W C03Y 179.5(5) . . . . ?
 O008 P005 C014 C01Y -56.7(5) . . . . ?
 O008 P005 C014 C02I 122.4(5) . . . . ?
 O008 P005 C020 C01R 126.5(5) . . . . ?
 O008 P005 C020 C01W -49.6(5) . . . . ?
 O008 P005 C02F C03E -12.7(6) . . . . ?
 O008 P005 C02F C03M 167.0(5) . . . . ?
 O009 C025 C02X C02A -0.4(10) . . . . ?
 O009 C025 C02Z F007 -48.7(7) . . . . ?
 O009 C025 C02Z F00P -170.8(6) . . . . ?
 O009 C025 C02Z F00S 69.1(7) . . . . ?
 O00B C03C C03J C031 -2.8(12) . . . . ?
 O00B C03C C03R F00I -49.4(10) . . . . ?
 O00B C03C C03R F012 66.2(8) . . . . ?
 O00B C03C C03R F01L -177.2(7) . . . . ?
 O00C C031 C03J C03C -0.6(12) . . . . ?
 O00C C031 C04O F022 -58.8(11) . . . . ?
 O00C C031 C04O F035 177.9(10) . . . . ?
 O00C C031 C04O F03F 55.4(13) . . . . ?
 O00D C02C C02D F00A 151.5(5) . . . . ?
 O00D C02C C02D F00G 31.9(7) . . . . ?
 O00D C02C C02D F00T -87.8(7) . . . . ?
 O00D C02C C04G C048 0.8(14) . . . . ?
 O00E P006 C02N C03A -44.7(6) . . . . ?
 O00E P006 C02N C047 135.1(8) . . . . ?
 O00E P006 C02P C03O -32.5(5) . . . . ?
 O00E P006 C02P C03W 150.9(5) . . . . ?
 O00E P006 C02Y C02E 151.3(5) . . . . ?
 O00E P006 C02Y C02T -26.4(5) . . . . ?
 O00F C02G C02H C027 -2.3(10) . . . . ?
 O00F C02G C049 F01Z 176.0(7) . . . . ?
 O00F C02G C049 F03S -55.4(12) . . . . ?
 O00F C02G C049 F04Q 61.4(10) . . . . ?
 O00H P003 C01C C01B 137.1(4) . . . . ?
 O00H P003 C01C C01V -44.0(5) . . . . ?
 O00H P003 C01I C01X -13.8(5) . . . . ?
 O00H P003 C01I C02R 165.2(4) . . . . ?
 O00H P003 C01P C029 131.0(5) . . . . ?
 O00H P003 C01P C045 -47.5(6) . . . . ?
 O00J P004 C018 C019 -43.7(5) . . . . ?
 O00J P004 C018 C024 141.3(5) . . . . ?
 O00J P004 C01E C026 -19.9(5) . . . . ?
 O00J P004 C01E C033 158.3(4) . . . . ?
 O00J P004 C01T C03Z 156.4(6) . . . . ?
 O00J P004 C01T C04P -26.5(8) . . . . ?
 O00K C048 C04G C02C -6.8(16) . . . . ?
 O00K C048 C10 F00Y 132.7(9) . . . . ?
 O00K C048 C10 F02K -108.6(9) . . . . ?
 O00K C048 C10 F04L 7.2(17) . . . . ?
 O00L C027 C02H C02G 0.1(10) . . . . ?
 O00L C027 C03X F00Z 62.2(8) . . . . ?
 O00L C027 C03X F01D -51.8(8) . . . . ?
 O00L C027 C03X F02S -175.2(8) . . . . ?
 O00M C03D C046 C03H -5.8(11) . . . . ?
 O00M C03D C04H F010 -28.4(12) . . . . ?
 O00M C03D C04H F02V 80.4(8) . . . . ?
 O00M C03D C04H F036 -176.0(9) . . . . ?
 O00N C03H C046 C03D 3.0(11) . . . . ?
 O00N C03H C04B F00W -72.1(8) . . . . ?
 O00N C03H C04B F01J 46.8(10) . . . . ?
 O00N C03H C04B F01O 169.8(7) . . . . ?
 O00O C02A C02X C025 1.1(10) . . . . ?
 O00O C02A C039 F037 143.1(9) . . . . ?
 O00O C02A C039 F03U -96.0(9) . . . . ?
 O00O C02A C039 F044 15.2(11) . . . . ?
 O00Q C04C C04U F03V -161.5(11) . . . . ?
 O00Q C04C C04U F04I -26.7(16) . . . . ?
 O00Q C04C C04U F04N 91.5(13) . . . . ?
 O00R C02U C03L C04C -4.2(13) . . . . ?
 O00R C02U C04E F00X -25.0(13) . . . . ?
 O00R C02U C04E F03B 89.6(11) . . . . ?
 O00R C02U C04E F04S -151.8(12) . . . . ?
 C011 C015 C01F C01H -178.7(6) . . . . ?
 C011 C015 C021 C01M -3.0(8) . . . . ?
 C011 C015 C021 C034 177.9(5) . . . . ?
 C011 C01N C01S C02E -5.2(10) . . . . ?
 C011 C01N C023 C01M -1.6(8) . . . . ?
 C011 C01N C023 C02L 173.8(5) . . . . ?
 C011 C02T C02Y P006 175.0(4) . . . . ?
 C011 C02T C02Y C02E -2.7(9) . . . . ?
 C013 C01A C02O C024 -174.2(6) . . . . ?
 C013 C01U C01V C01C 1.0(9) . . . . ?
 C014 P005 O008 Tb01 -14.8(5) . . . . ?
 C014 P005 C020 C01R -110.7(5) . . . . ?
 C014 P005 C020 C01W 73.2(5) . . . . ?
 C014 P005 C02F C03E -134.1(5) . . . . ?
 C014 P005 C02F C03M 45.7(6) . . . . ?
 C014 C01Y C02W C02Q 0.2(10) . . . . ?
 C014 C02I C02M C02Q -0.8(10) . . . . ?
 C015 C011 C01N C01S -177.1(5) . . . . ?
 C015 C011 C01N C023 2.9(8) . . . . ?
 C015 C011 C02T C02Y -179.0(5) . . . . ?
 C015 C01F C01H C032 1.3(10) . . . . ?
 C015 C021 C034 C032 0.5(9) . . . . ?
 C016 C01G C02B C03K 1.7(9) . . . . ?
 C016 C01Q C02J C03K -0.2(10) . . . . ?
 C017 C01A C02O C024 3.4(10) . . . . ?
 C017 C01G C02B C03K -179.5(6) . . . . ?
 C018 P004 C01E C026 -140.9(5) . . . . ?
 C018 P004 C01E C033 37.3(5) . . . . ?
 C018 P004 C01T C03Z -80.5(6) . . . . ?
 C018 P004 C01T C04P 96.7(8) . . . . ?
 C018 C024 C02O C01A -0.2(10) . . . . ?
 C019 C017 C01A C013 173.8(5) . . . . ?
 C019 C017 C01A C02O -3.9(8) . . . . ?
 C019 C017 C01G C016 -178.3(5) . . . . ?
 C019 C017 C01G C02B 2.9(8) . . . . ?
 C019 C018 C024 C02O -2.5(9) . . . . ?
 C01A C013 C01K C016 -1.6(8) . . . . ?
 C01A C013 C01K C01B -179.9(5) . . . . ?
 C01A C013 C01U C01V 178.8(5) . . . . ?
 C01A C017 C019 C018 1.3(8) . . . . ?
 C01A C017 C01G C016 1.6(8) . . . . ?
 C01A C017 C01G C02B -177.2(5) . . . . ?
 C01B C01C C01V C01U -1.2(8) . . . . ?
 C01C P003 O00H Tb02 74.4(8) . . . . ?
 C01C P003 C01I C01X 108.3(4) . . . . ?
 C01C P003 C01I C02R -72.8(5) . . . . ?
 C01C P003 C01P C029 8.9(6) . . . . ?
 C01C P003 C01P C045 -169.6(5) . . . . ?
 C01C C01B C01K C013 1.2(8) . . . . ?
 C01C C01B C01K C016 -177.1(5) . . . . ?
 C01E P004 C018 C019 76.9(5) . . . . ?
 C01E P004 C018 C024 -98.1(6) . . . . ?
 C01E P004 C01T C03Z 33.2(7) . . . . ?
 C01E P004 C01T C04P -149.6(7) . . . . ?
 C01E C026 C03I C040 0.1(10) . . . . ?
 C01E C033 C03T C040 1.7(10) . . . . ?
 C01F C015 C021 C01M 178.5(5) . . . . ?
 C01F C015 C021 C034 -0.6(8) . . . . ?
 C01F C01H C032 C034 -1.4(11) . . . . ?
 C01G C016 C01K C013 -2.9(8) . . . . ?
 C01G C016 C01K C01B 175.3(5) . . . . ?
 C01G C016 C01Q C02J -1.2(9) . . . . ?
 C01G C017 C019 C018 -178.7(5) . . . . ?
 C01G C017 C01A C013 -6.2(8) . . . . ?
 C01G C017 C01A C02O 176.2(5) . . . . ?
 C01G C02B C03K C02J -3.1(10) . . . . ?
 C01H C032 C034 C021 0.5(10) . . . . ?
 C01I P003 O00H Tb02 -164.2(7) . . . . ?
 C01I P003 C01C C01B 15.7(5) . . . . ?
 C01I P003 C01C C01V -165.5(4) . . . . ?
 C01I P003 C01P C029 -108.6(5) . . . . ?
 C01I P003 C01P C045 72.8(6) . . . . ?
 C01I C01X C028 C03P 0.9(9) . . . . ?
 C01I C02R C038 C03P -1.1(10) . . . . ?
 C01K C013 C01A C017 6.1(8) . . . . ?
 C01K C013 C01A C02O -176.3(5) . . . . ?
 C01K C013 C01U C01V 0.4(9) . . . . ?
 C01K C016 C01G C017 2.9(7) . . . . ?
 C01K C016 C01G C02B -178.2(5) . . . . ?
 C01K C016 C01Q C02J 177.5(6) . . . . ?
 C01K C01B C01C P003 179.0(4) . . . . ?
 C01K C01B C01C C01V 0.2(8) . . . . ?
 C01M C01R C020 P005 -175.3(4) . . . . ?
 C01M C01R C020 C01W 0.6(8) . . . . ?
 C01M C021 C034 C032 -178.6(6) . . . . ?
 C01M C023 C02L C01W -1.2(9) . . . . ?
 C01N C011 C015 C01F 177.8(5) . . . . ?
 C01N C011 C015 C021 -0.6(8) . . . . ?
 C01N C011 C02T C02Y -1.1(8) . . . . ?
 C01N C01S C02E C02Y 1.4(10) . . . . ?
 C01N C023 C02L C01W -176.8(6) . . . . ?
 C01P P003 O00H Tb02 -45.8(8) . . . . ?
 C01P P003 C01C C01B -99.8(5) . . . . ?
 C01P P003 C01C C01V 79.1(5) . . . . ?
 C01P P003 C01I C01X -135.7(4) . . . . ?
 C01P P003 C01I C02R 43.3(5) . . . . ?
 C01P C029 C030 C03G 0.1(10) . . . . ?
 C01P C045 C04J C03G -0.3(14) . . . . ?
 C01Q C016 C01G C017 -178.3(5) . . . . ?
 C01Q C016 C01G C02B 0.5(8) . . . . ?
 C01Q C016 C01K C013 178.4(5) . . . . ?
 C01Q C016 C01K C01B -3.4(8) . . . . ?
 C01Q C02J C03K C02B 2.4(11) . . . . ?
 C01R C01M C021 C015 -175.3(5) . . . . ?
 C01R C01M C021 C034 3.7(8) . . . . ?
 C01R C01M C023 C01N 177.6(5) . . . . ?
 C01R C01M C023 C02L 2.1(8) . . . . ?
 C01S C01N C023 C01M 178.4(6) . . . . ?
 C01S C01N C023 C02L -6.1(9) . . . . ?
 C01S C02E C02Y P006 -175.1(5) . . . . ?
 C01S C02E C02Y C02T 2.6(9) . . . . ?
 C01T P004 C018 C019 -166.7(4) . . . . ?
 C01T P004 C018 C024 18.3(6) . . . . ?
 C01T P004 C01E C026 103.5(5) . . . . ?
 C01T P004 C01E C033 -78.3(5) . . . . ?
 C01T C03Z C04A C042 1.0(13) . . . . ?
 C01T C04P C04T C042 -1(2) . . . . ?
 C01U C013 C01A C017 -172.3(5) . . . . ?
 C01U C013 C01A C02O 5.3(9) . . . . ?
 C01U C013 C01K C016 176.9(5) . . . . ?
 C01U C013 C01K C01B -1.4(8) . . . . ?
 C01X C01I C02R C038 0.2(9) . . . . ?
 C01X C028 C03P C038 -1.8(10) . . . . ?
 C01Y C014 C02I C02M 0.0(9) . . . . ?
 C020 P005 O008 Tb01 106.5(5) . . . . ?
 C020 P005 C014 C01Y -178.5(4) . . . . ?
 C020 P005 C014 C02I 0.5(6) . . . . ?
 C020 P005 C02F C03E 108.5(5) . . . . ?
 C020 P005 C02F C03M -71.7(6) . . . . ?
 C020 C01W C02L C023 0.0(9) . . . . ?
 C021 C015 C01F C01H -0.3(8) . . . . ?
 C021 C01M C01R C020 177.8(5) . . . . ?
 C021 C01M C023 C01N -2.0(8) . . . . ?
 C021 C01M C023 C02L -177.6(5) . . . . ?
 C023 C01M C01R C020 -1.8(8) . . . . ?
 C023 C01M C021 C015 4.3(8) . . . . ?
 C023 C01M C021 C034 -176.6(5) . . . . ?
 C023 C01N C01S C02E 174.8(6) . . . . ?
 C024 C018 C019 C017 1.9(9) . . . . ?
 C026 C01E C033 C03T -1.5(9) . . . . ?
 C026 C03I C040 C03T 0.1(11) . . . . ?
 C029 C01P C045 C04J 1.9(12) . . . . ?
 C029 C030 C03G C04J 1.6(12) . . . . ?
 C02D C02C C04G C048 -174.5(8) . . . . ?
 C02F P005 O008 Tb01 -132.9(4) . . . . ?
 C02F P005 C014 C01Y 64.0(5) . . . . ?
 C02F P005 C014 C02I -116.9(5) . . . . ?
 C02F P005 C020 C01R 5.0(6) . . . . ?
 C02F P005 C020 C01W -171.1(5) . . . . ?
 C02F C03E C04F C04M 2.2(12) . . . . ?
 C02F C03M C04K C04M 0.9(13) . . . . ?
 C02H C027 C03X F00Z -121.0(7) . . . . ?
 C02H C027 C03X F01D 125.0(7) . . . . ?
 C02H C027 C03X F02S 1.6(11) . . . . ?
 C02H C02G C049 F01Z -2.5(11) . . . . ?
 C02H C02G C049 F03S 126.1(10) . . . . ?
 C02H C02G C049 F04Q -117.1(9) . . . . ?
 C02I C014 C01Y C02W 0.4(9) . . . . ?
 C02I C02M C02Q C02W 1.4(10) . . . . ?
 C02L C01W C020 P005 176.5(5) . . . . ?
 C02L C01W C020 C01R 0.3(9) . . . . ?
 C02M C02Q C02W C01Y -1.1(11) . . . . ?
 C02N P006 O00E Tb02 15.2(8) . . . . ?
 C02N P006 C02P C03O -154.9(5) . . . . ?
 C02N P006 C02P C03W 28.4(6) . . . . ?
 C02N P006 C02Y C02E -85.5(6) . . . . ?
 C02N P006 C02Y C02T 96.8(5) . . . . ?
 C02N C03A C03Q C04D 1.3(12) . . . . ?
 C02N C047 C04R C04D 3(2) . . . . ?
 C02P P006 O00E Tb02 -105.1(7) . . . . ?
 C02P P006 C02N C03A 76.5(6) . . . . ?
 C02P P006 C02N C047 -103.7(9) . . . . ?
 C02P P006 C02Y C02E 31.6(6) . . . . ?
 C02P P006 C02Y C02T -146.0(5) . . . . ?
 C02P C03O C043 C03N -0.4(12) . . . . ?
 C02P C03W C03Y C03N -2.6(11) . . . . ?
 C02R C01I C01X C028 -0.1(8) . . . . ?
 C02R C038 C03P C028 2.0(11) . . . . ?
 C02T C011 C015 C01F -4.3(8) . . . . ?
 C02T C011 C015 C021 177.3(5) . . . . ?
 C02T C011 C01N C01S 4.9(8) . . . . ?
 C02T C011 C01N C023 -175.1(5) . . . . ?
 C02U C03L C04C O00Q -1.4(14) . . . . ?
 C02U C03L C04C C04U 178.5(9) . . . . ?
 C02X C025 C02Z F007 133.8(6) . . . . ?
 C02X C025 C02Z F00P 11.8(9) . . . . ?
 C02X C025 C02Z F00S -108.3(6) . . . . ?
 C02X C02A C039 F037 -36.9(11) . . . . ?
 C02X C02A C039 F03U 83.9(10) . . . . ?
 C02X C02A C039 F044 -164.8(9) . . . . ?
 C02Y P006 O00E Tb02 136.8(6) . . . . ?
 C02Y P006 C02N C03A -166.9(5) . . . . ?
 C02Y P006 C02N C047 12.9(9) . . . . ?
 C02Y P006 C02P C03O 87.3(5) . . . . ?
 C02Y P006 C02P C03W -89.4(5) . . . . ?
 C02Z C025 C02X C02A 176.6(6) . . . . ?
 C030 C03G C04J C045 -1.4(14) . . . . ?
 C033 C01E C026 C03I 0.6(9) . . . . ?
 C033 C03T C040 C03I -1.0(11) . . . . ?
 C039 C02A C02X C025 -178.8(6) . . . . ?
 C03A C02N C047 C04R -1.2(17) . . . . ?
 C03A C03Q C04D C04R 0.7(17) . . . . ?
 C03E C02F C03M C04K -1.1(10) . . . . ?
 C03E C04F C04M C04K -2.3(14) . . . . ?
 C03J C031 C04O F022 122.8(8) . . . . ?
 C03J C031 C04O F035 -0.5(16) . . . . ?
 C03J C031 C04O F03F -122.9(9) . . . . ?
 C03J C03C C03R F00I 129.0(7) . . . . ?
 C03J C03C C03R F012 -115.3(8) . . . . ?
 C03J C03C C03R F01L 1.2(11) . . . . ?
 C03L C02U C04E F00X 156.7(9) . . . . ?
 C03L C02U C04E F03B -88.8(11) . . . . ?
 C03L C02U C04E F04S 29.8(16) . . . . ?
 C03L C04C C04U F03V 18.6(17) . . . . ?
 C03L C04C C04U F04I 153.4(13) . . . . ?
 C03L C04C C04U F04N -88.4(12) . . . . ?
 C03M C02F C03E C04F -0.4(10) . . . . ?
 C03M C04K C04M C04F 0.8(15) . . . . ?
 C03O C02P C03W C03Y 2.9(10) . . . . ?
 C03Q C04D C04R C047 -3(2) . . . . ?
 C03R C03C C03J C031 179.0(7) . . . . ?
 C03W C02P C03O C043 -1.4(10) . . . . ?
 C03X C027 C02H C02G -176.2(6) . . . . ?
 C03Y C03N C043 C03O 0.7(13) . . . . ?
 C03Z C01T C04P C04T 0.9(16) . . . . ?
 C043 C03N C03Y C03W 0.7(12) . . . . ?
 C045 C01P C029 C030 -1.8(10) . . . . ?
 C046 C03D C04H F010 151.9(9) . . . . ?
 C046 C03D C04H F02V -99.3(8) . . . . ?
 C046 C03D C04H F036 4.3(14) . . . . ?
 C046 C03H C04B F00W 107.9(8) . . . . ?
 C046 C03H C04B F01J -133.1(8) . . . . ?
 C046 C03H C04B F01O -10.1(10) . . . . ?
 C047 C02N C03A C03Q -1.0(12) . . . . ?
 C049 C02G C02H C027 176.0(6) . . . . ?
 C04A C042 C04T C04P 1.4(19) . . . . ?
 C04B C03H C046 C03D -177.1(7) . . . . ?
 C04E C02U C03L C04C 173.9(9) . . . . ?
 C04G C02C C02D F00A -32.7(9) . . . . ?
 C04G C02C C02D F00G -152.2(7) . . . . ?
 C04G C02C C02D F00T 88.1(8) . . . . ?
 C04G C048 C10 F00Y -46.0(14) . . . . ?
 C04G C048 C10 F02K 72.7(12) . . . . ?
 C04G C048 C10 F04L -171.5(13) . . . . ?
 C04H C03D C046 C03H 173.8(7) . . . . ?
 C04O C031 C03J C03C 177.5(9) . . . . ?
 C04P C01T C03Z C04A -0.8(13) . . . . ?
 C04T C042 C04A C03Z -1.3(15) . . . . ?
 C10 C048 C04G C02C 171.7(9) . . . . ?

_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 0.012 -0.010 0.093 7.2 0.1 ?
 2 -0.013 0.010 0.907 7.2 0.3 ?
 3 0.250 0.250 0.364 611.3 135.5 '2 CHCl3'
 4 0.250 0.250 0.864 611.3 136.2 '2 CHCl3'
 5 -0.013 0.490 0.407 7.2 0.1 ?
 6 0.013 0.510 0.593 7.2 0.1 ?
 7 -0.250 0.750 0.136 611.3 133.4 '2 CHCl3'
 8 -0.250 0.750 0.636 611.3 134.1 '2 CHCl3'
 9 0.045 0.642 0.701 11.3 1.2 ?
 10 0.045 0.858 0.201 11.3 1.2 ?
 11 0.112 0.657 0.419 21.8 1.8 '1 H2O'
 12 0.112 0.843 0.919 21.8 2.0 '1 H2O'
 13 0.124 0.517 0.225 18.3 0.0 ?
 14 0.124 0.983 0.725 18.3 0.0 ?
 15 0.376 0.517 0.725 18.3 0.0 ?
 16 0.376 0.983 0.225 18.3 0.0 ?
 17 0.388 0.657 0.919 21.8 1.4 '1 H2O'
 18 0.388 0.843 0.419 21.8 1.4 '1 H2O'
 19 0.455 0.642 0.201 11.3 1.2 ?
 20 0.455 0.858 0.701 11.3 1.2 ?
 21 0.488 0.510 0.093 7.2 0.3 ?
 22 0.488 0.990 0.593 7.2 0.1 ?
 23 0.513 0.010 0.407 7.2 0.4 ?
 24 0.513 0.490 0.907 7.2 0.1 ?
 25 0.545 0.142 0.299 11.3 1.2 ?
 26 0.545 0.358 0.799 11.3 1.2 ?
 27 0.612 0.157 0.581 21.8 1.7 '1 H2O'
 28 0.612 0.343 0.081 21.8 1.7 '1 H2O'
 29 0.624 0.017 0.775 18.3 0.0 ?
 30 0.624 0.483 0.275 18.3 0.0 ?
 31 0.876 0.017 0.275 18.3 0.0 ?
 32 0.876 0.483 0.775 18.3 0.0 ?
 33 0.888 0.157 0.081 21.8 1.1 '1 H2O'
 34 0.888 0.343 0.581 21.8 1.3 '1 H2O'
 35 0.955 0.142 0.799 11.3 1.2 ?
 36 0.955 0.358 0.299 11.3 1.2 ?

_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  2.077
_oxdiff_exptl_absorpt_empirical_full_min  0.764
