#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/95/1519565.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1519565
loop_
_publ_author_name
'Matthews, Craig J.'
'Davis, Lisa'
'Horton, Peter N.'
'Hursthouse, Michael B.'
_publ_section_title
;
 C60H66F18N30O34Pb4S6
;
_journal_name_full               'Crystal Structure Report Archive'
_journal_page_first              971
_journal_year                    2003
_chemical_formula_sum            'C60 H66 F18 N30 O34 Pb4 S6'
_chemical_formula_weight         3114.55
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                99.355(2)
_cell_angle_beta                 99.419(3)
_cell_angle_gamma                99.681(4)
_cell_formula_units_Z            2
_cell_length_a                   12.7864(5)
_cell_length_b                   17.1825(7)
_cell_length_c                   22.7443(8)
_cell_measurement_reflns_used    21509
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     4765.7(3)
_computing_cell_refinement
' DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_collection       ' DENZO (Otwinowski and Minor, 1997)'
_computing_data_reduction
' DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997b)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius KappaCCD Area Detector'
_diffrn_measurement_method       'φ and ω scans to fill Ewald Sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0650
_diffrn_reflns_av_sigmaI/netI    0.0381
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            96608
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    7.308
_exptl_absorpt_correction_T_max  0.7587
_exptl_absorpt_correction_T_min  0.2729
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SORTAV Blessing (1997)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.170
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Slab
_exptl_crystal_F_000             2988
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.154
_refine_diff_density_min         -1.796
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1454
_refine_ls_number_reflns         21745
_refine_ls_number_restraints     429
_refine_ls_restrained_S_all      1.075
_refine_ls_R_factor_all          0.0358
_refine_ls_R_factor_gt           0.0321
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0274P)²+15.7939P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0802
_reflns_number_gt                20080
_reflns_number_total             21745
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            eCrystal-971.cif
_cod_data_source_block           s92
_cod_depositor_comments
;
Citation :
Matthews, Craig J. and Davis, Lisa and Horton, Peter N. and 
Hursthouse, Michael B. (2003) 
University of Southampton, Crystal Structure Report Archive. 
(doi:10.5258/ecrystals/971)

More at:
http://ecrystals.chem.soton.ac.uk/971/

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 3271 2015-04-21 07:52:19Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1519565
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.166985(14) 0.272116(10) -0.086640(7) 0.02768(4) Uani 1 1 d . . .
Pb2 Pb 0.327403(13) 0.296300(9) 0.089447(7) 0.02313(4) Uani 1 1 d . . .
Pb3 Pb 0.464841(13) 0.321270(9) 0.401993(7) 0.02379(4) Uani 1 1 d . . .
Pb4 Pb 0.519302(14) 0.296213(10) 0.574801(7) 0.02613(4) Uani 1 1 d . . .
C1 C 0.2188(4) 0.4502(3) -0.1509(2) 0.0317(10) Uani 1 1 d . . .
H1 H 0.1707 0.4159 -0.1851 0.038 Uiso 1 1 calc R . .
C2 C 0.2692(4) 0.5256(3) -0.1576(2) 0.0288(9) Uani 1 1 d . . .
H2 H 0.2570 0.5422 -0.1955 0.035 Uiso 1 1 calc R . .
C3 C 0.3379(4) 0.5760(3) -0.1070(2) 0.0275(9) Uani 1 1 d . . .
H3 H 0.3715 0.6288 -0.1094 0.033 Uiso 1 1 calc R . .
C4 C 0.3570(4) 0.5484(3) -0.0527(2) 0.0258(9) Uani 1 1 d . . .
H4 H 0.4051 0.5813 -0.0179 0.031 Uiso 1 1 calc R . .
C5 C 0.3041(3) 0.4717(2) -0.05062(19) 0.0242(8) Uani 1 1 d . . .
C6 C 0.3217(4) 0.4367(3) 0.00558(19) 0.0250(8) Uani 1 1 d . . .
C7 C 0.4572(3) 0.4918(2) 0.15209(19) 0.0234(8) Uani 1 1 d . . .
C8 C 0.4733(3) 0.4551(3) 0.20717(19) 0.0239(8) Uani 1 1 d . . .
C9 C 0.4364(4) 0.3448(3) 0.2500(2) 0.0294(9) Uani 1 1 d . . .
H9 H 0.4051 0.2894 0.2448 0.035 Uiso 1 1 calc R . .
C10 C 0.5334(4) 0.4982(3) 0.26319(19) 0.0253(8) Uani 1 1 d . . .
H10 H 0.5703 0.5523 0.2677 0.030 Uiso 1 1 calc R . .
C11 C 0.5375(4) 0.4592(3) 0.3123(2) 0.0255(9) Uani 1 1 d . . .
C12 C 0.5906(4) 0.5006(3) 0.37563(19) 0.0252(8) Uani 1 1 d . . .
C13 C 0.6147(3) 0.4534(3) 0.51607(19) 0.0243(8) Uani 1 1 d . . .
C14 C 0.6689(4) 0.4881(3) 0.58079(19) 0.0254(9) Uani 1 1 d . . .
C15 C 0.7324(4) 0.5647(3) 0.5985(2) 0.0308(10) Uani 1 1 d . . .
H15 H 0.7445 0.5976 0.5696 0.037 Uiso 1 1 calc R . .
C16 C 0.7781(4) 0.5922(3) 0.6599(2) 0.0381(11) Uani 1 1 d . . .
H16 H 0.8217 0.6446 0.6737 0.046 Uiso 1 1 calc R . .
C17 C 0.7587(5) 0.5415(3) 0.7005(2) 0.0415(12) Uani 1 1 d . . .
H17 H 0.7886 0.5589 0.7427 0.050 Uiso 1 1 calc R . .
C18 C 0.6959(5) 0.4662(3) 0.6788(2) 0.0383(11) Uani 1 1 d . . .
H18 H 0.6833 0.4319 0.7068 0.046 Uiso 1 1 calc R . .
N1 N 0.2348(3) 0.4233(2) -0.09858(17) 0.0276(8) Uani 1 1 d . . .
N2 N 0.3853(3) 0.4833(2) 0.05348(16) 0.0245(7) Uani 1 1 d . . .
N3 N 0.3987(3) 0.4443(2) 0.10299(16) 0.0240(7) Uani 1 1 d . . .
N4 N 0.5037(3) 0.5685(2) 0.15563(16) 0.0269(8) Uani 1 1 d . . .
H4A H 0.4959 0.5904 0.1232 0.032 Uiso 1 1 calc R . .
H4B H 0.5422 0.5971 0.1904 0.032 Uiso 1 1 calc R . .
N5 N 0.4245(3) 0.3776(2) 0.20061(17) 0.0263(7) Uani 1 1 d . . .
N6 N 0.4871(3) 0.3816(2) 0.30520(17) 0.0270(8) Uani 1 1 d . . .
N7 N 0.6427(3) 0.5775(2) 0.38660(17) 0.0284(8) Uani 1 1 d . . .
H7A H 0.6705 0.6028 0.4242 0.034 Uiso 1 1 calc R . .
H7B H 0.6490 0.6027 0.3562 0.034 Uiso 1 1 calc R . .
N8 N 0.5774(3) 0.4586(2) 0.41769(16) 0.0249(7) Uani 1 1 d . . .
N9 N 0.6290(3) 0.4988(2) 0.47620(16) 0.0268(8) Uani 1 1 d . . .
N10 N 0.6511(3) 0.4386(2) 0.61955(17) 0.0317(8) Uani 1 1 d . . .
O1 O 0.2719(3) 0.36333(18) 0.00246(14) 0.0281(7) Uani 1 1 d . . .
O2 O 0.5609(3) 0.37995(18) 0.50453(13) 0.0277(6) Uani 1 1 d . . .
C21 C -0.0565(5) 0.3519(3) -0.0485(3) 0.0400(12) Uani 1 1 d . . .
H21 H -0.0382 0.3858 -0.0759 0.048 Uiso 1 1 calc R . .
C22 C -0.1463(5) 0.3584(3) -0.0240(3) 0.0427(12) Uani 1 1 d . . .
H22 H -0.1887 0.3966 -0.0339 0.051 Uiso 1 1 calc R . .
C23 C -0.1744(4) 0.3085(3) 0.0154(3) 0.0402(12) Uani 1 1 d . . .
H23 H -0.2365 0.3118 0.0328 0.048 Uiso 1 1 calc R . .
C24 C -0.1103(4) 0.2537(3) 0.0289(2) 0.0327(10) Uani 1 1 d . . .
H24 H -0.1281 0.2185 0.0556 0.039 Uiso 1 1 calc R . .
C25 C -0.0194(4) 0.2510(3) 0.0027(2) 0.0283(9) Uani 1 1 d . . .
C26 C 0.0558(4) 0.1953(3) 0.01646(19) 0.0257(9) Uani 1 1 d . . .
C27 C 0.0618(4) 0.0304(3) 0.08357(19) 0.0243(8) Uani 1 1 d . . .
C28 C 0.1425(4) -0.0141(3) 0.10963(19) 0.0249(8) Uani 1 1 d . . .
C29 C 0.1808(4) -0.1322(3) 0.1286(2) 0.0358(11) Uani 1 1 d . . .
H29 H 0.1596 -0.1891 0.1226 0.043 Uiso 1 1 calc R . .
C30 C 0.2426(3) 0.0268(3) 0.14349(18) 0.0236(8) Uani 1 1 d . . .
H30 H 0.2650 0.0834 0.1480 0.028 Uiso 1 1 calc R . .
C31 C 0.3083(4) -0.0197(3) 0.17046(19) 0.0248(8) Uani 1 1 d . . .
C32 C 0.4144(4) 0.0167(3) 0.21276(18) 0.0248(8) Uani 1 1 d . . .
C33 C 0.5386(4) 0.1787(3) 0.3130(2) 0.0260(9) Uani 1 1 d . . .
C34 C 0.6450(4) 0.2170(3) 0.35376(19) 0.0253(9) Uani 1 1 d . . .
C35 C 0.7373(4) 0.1853(3) 0.3545(2) 0.0318(10) Uani 1 1 d . . .
H35 H 0.7363 0.1366 0.3276 0.038 Uiso 1 1 calc R . .
C36 C 0.8311(4) 0.2251(3) 0.3947(2) 0.0350(10) Uani 1 1 d . . .
H36 H 0.8951 0.2036 0.3966 0.042 Uiso 1 1 calc R . .
C37 C 0.8304(4) 0.2973(3) 0.4326(2) 0.0344(10) Uani 1 1 d . . .
H37 H 0.8944 0.3269 0.4598 0.041 Uiso 1 1 calc R . .
C38 C 0.7347(4) 0.3248(3) 0.4297(2) 0.0298(9) Uani 1 1 d . . .
H38 H 0.7344 0.3741 0.4555 0.036 Uiso 1 1 calc R . .
N21 N 0.0076(3) 0.2992(2) -0.03531(18) 0.0309(8) Uani 1 1 d . . .
N22 N 0.0196(3) 0.1403(2) 0.04553(17) 0.0261(7) Uani 1 1 d . . .
N23 N 0.0947(3) 0.0931(2) 0.06073(16) 0.0248(7) Uani 1 1 d . . .
H23A H 0.1616 0.1050 0.0552 0.030 Uiso 1 1 calc R . .
N24 N -0.0409(3) 0.0074(2) 0.08658(18) 0.0299(8) Uani 1 1 d . . .
H24A H -0.0891 0.0345 0.0730 0.036 Uiso 1 1 calc R . .
H24B H -0.0609 -0.0351 0.1022 0.036 Uiso 1 1 calc R . .
N25 N 0.1097(3) -0.0941(2) 0.10222(18) 0.0292(8) Uani 1 1 d . . .
N26 N 0.2787(3) -0.0997(2) 0.16255(18) 0.0298(8) Uani 1 1 d . . .
N27 N 0.4637(3) -0.0332(2) 0.24077(18) 0.0308(8) Uani 1 1 d . . .
H27A H 0.5235 -0.0142 0.2682 0.037 Uiso 1 1 calc R . .
H27B H 0.4365 -0.0852 0.2319 0.037 Uiso 1 1 calc R . .
N28 N 0.4438(3) 0.0943(2) 0.22066(17) 0.0292(8) Uani 1 1 d . . .
N29 N 0.5410(3) 0.1252(2) 0.26416(18) 0.0297(8) Uani 1 1 d . . .
H29A H 0.6014 0.1094 0.2590 0.036 Uiso 1 1 calc R . .
N30 N 0.6427(3) 0.2855(2) 0.39240(16) 0.0248(7) Uani 1 1 d . . .
O21 O 0.1478(2) 0.20661(18) 0.00049(14) 0.0279(6) Uani 1 1 d . . .
O22 O 0.4522(3) 0.1961(2) 0.32470(14) 0.0306(7) Uani 1 1 d . . .
C41 C 0.1390(4) 0.4174(3) 0.1112(2) 0.0330(10) Uani 1 1 d . . .
H41 H 0.1789 0.4453 0.0866 0.040 Uiso 1 1 calc R . .
C42 C 0.0517(4) 0.4467(3) 0.1293(3) 0.0385(11) Uani 1 1 d . . .
H42 H 0.0331 0.4940 0.1175 0.046 Uiso 1 1 calc R . .
C43 C -0.0073(4) 0.4061(3) 0.1645(2) 0.0372(11) Uani 1 1 d . . .
H43 H -0.0668 0.4252 0.1776 0.045 Uiso 1 1 calc R . .
C44 C 0.0217(4) 0.3371(3) 0.1803(2) 0.0329(10) Uani 1 1 d . . .
H44 H -0.0189 0.3072 0.2036 0.039 Uiso 1 1 calc R . .
C45 C 0.1109(3) 0.3123(2) 0.16170(19) 0.0240(8) Uani 1 1 d . . .
C46 C 0.1547(3) 0.2410(2) 0.17991(19) 0.0243(8) Uani 1 1 d . . .
C47 C 0.0795(4) 0.0848(3) 0.2496(2) 0.0265(9) Uani 1 1 d . . .
C48 C 0.1296(4) 0.0226(3) 0.2764(2) 0.0265(9) Uani 1 1 d . . .
C49 C 0.1196(4) -0.1077(3) 0.2863(2) 0.0369(11) Uani 1 1 d . . .
H49 H 0.0797 -0.1615 0.2764 0.044 Uiso 1 1 calc R . .
C50 C 0.2316(4) 0.0437(3) 0.3139(2) 0.0284(9) Uani 1 1 d . . .
H50 H 0.2718 0.0975 0.3238 0.034 Uiso 1 1 calc R . .
C51 C 0.2710(4) -0.0188(3) 0.3358(2) 0.0257(9) Uani 1 1 d . . .
C52 C 0.3787(4) -0.0058(3) 0.3767(2) 0.0263(9) Uani 1 1 d . . .
C53 C 0.5540(3) 0.1543(3) 0.47544(19) 0.0245(8) Uani 1 1 d . . .
C54 C 0.6629(4) 0.1741(3) 0.5150(2) 0.0273(9) Uani 1 1 d . . .
C55 C 0.7404(4) 0.1269(3) 0.5089(2) 0.0339(10) Uani 1 1 d . . .
H55 H 0.7242 0.0784 0.4794 0.041 Uiso 1 1 calc R . .
C56 C 0.8409(4) 0.1516(4) 0.5463(2) 0.0394(12) Uani 1 1 d . . .
H56 H 0.8947 0.1201 0.5428 0.047 Uiso 1 1 calc R . .
C57 C 0.8630(4) 0.2223(3) 0.5888(2) 0.0400(12) Uani 1 1 d . . .
H57 H 0.9324 0.2409 0.6142 0.048 Uiso 1 1 calc R . .
C58 C 0.7810(4) 0.2655(3) 0.5934(2) 0.0356(11) Uani 1 1 d . . .
H58 H 0.7951 0.3134 0.6234 0.043 Uiso 1 1 calc R . .
N41 N 0.1689(3) 0.3515(2) 0.12699(17) 0.0271(8) Uani 1 1 d . . .
N42 N 0.1029(3) 0.2021(2) 0.21592(18) 0.0286(8) Uani 1 1 d . . .
H42A H 0.0421 0.2134 0.2250 0.034 Uiso 1 1 calc R . .
N43 N 0.1495(3) 0.1423(2) 0.23871(17) 0.0285(8) Uani 1 1 d . . .
N44 N -0.0282(3) 0.0738(2) 0.2385(2) 0.0341(9) Uani 1 1 d . . .
H44A H -0.0605 0.1082 0.2215 0.041 Uiso 1 1 calc R . .
H44B H -0.0670 0.0321 0.2481 0.041 Uiso 1 1 calc R . .
N45 N 0.0723(3) -0.0526(2) 0.26255(18) 0.0318(8) Uani 1 1 d . . .
N46 N 0.2167(3) -0.0948(2) 0.32211(19) 0.0322(8) Uani 1 1 d . . .
N47 N 0.4274(3) -0.0668(2) 0.37930(18) 0.0313(8) Uani 1 1 d . . .
H47A H 0.4916 -0.0598 0.4027 0.038 Uiso 1 1 calc R . .
H47B H 0.3958 -0.1148 0.3577 0.038 Uiso 1 1 calc R . .
N48 N 0.4222(3) 0.0671(2) 0.40799(17) 0.0267(8) Uani 1 1 d . . .
H48 H 0.3863 0.1064 0.4068 0.032 Uiso 1 1 calc R . .
N49 N 0.5261(3) 0.0811(2) 0.44317(17) 0.0271(8) Uani 1 1 d . . .
N50 N 0.6836(3) 0.2425(2) 0.55734(17) 0.0282(8) Uani 1 1 d . . .
O41 O 0.2347(2) 0.22249(19) 0.16147(15) 0.0284(7) Uani 1 1 d . . .
O42 O 0.4952(2) 0.20875(18) 0.47581(14) 0.0254(6) Uani 1 1 d . . .
C61 C 0.5234(4) 0.1692(3) -0.0701(2) 0.0426(12) Uani 1 1 d D . .
O61 O 0.3392(3) 0.2000(2) -0.05551(16) 0.0333(7) Uani 1 1 d D . .
O62 O 0.4625(3) 0.3026(2) -0.08571(18) 0.0453(9) Uani 1 1 d D . .
O63 O 0.4985(3) 0.2764(2) 0.01666(16) 0.0410(8) Uani 1 1 d D . .
F61 F 0.4832(3) 0.1327(2) -0.12709(16) 0.0598(10) Uani 1 1 d D . .
F62 F 0.6275(3) 0.2019(3) -0.0651(2) 0.0715(12) Uani 1 1 d D . .
F63 F 0.5174(3) 0.1140(2) -0.03525(19) 0.0633(10) Uani 1 1 d D . .
S61 S 0.44912(9) 0.24609(7) -0.04614(5) 0.0289(2) Uani 1 1 d D . .
C64 C 0.8849(4) 0.7861(3) 0.4997(3) 0.0474(13) Uani 1 1 d D . .
O64 O 0.6934(3) 0.7129(2) 0.50234(16) 0.0370(8) Uani 1 1 d D . .
O65 O 0.7463(3) 0.8574(2) 0.5431(2) 0.0450(9) Uani 1 1 d D . .
O66 O 0.8217(5) 0.7643(3) 0.59869(19) 0.0683(14) Uani 1 1 d D . .
F64 F 0.8504(3) 0.7935(3) 0.44317(17) 0.0739(12) Uani 1 1 d D . .
F65 F 0.9263(3) 0.7208(3) 0.4976(3) 0.0900(16) Uani 1 1 d D . .
F66 F 0.9637(3) 0.8484(3) 0.5269(2) 0.0695(11) Uani 1 1 d D . .
S64 S 0.77421(10) 0.77980(7) 0.54072(5) 0.0329(2) Uani 1 1 d D . .
C67 C 0.8721(4) 0.9732(3) 0.3738(2) 0.0424(12) Uani 1 1 d D . .
O67 O 0.7889(4) 0.9143(4) 0.26136(19) 0.0677(14) Uani 1 1 d D . .
O68 O 0.7148(3) 0.8531(2) 0.33727(19) 0.0477(9) Uani 1 1 d D . .
O69 O 0.6813(3) 0.9844(2) 0.32376(17) 0.0407(8) Uani 1 1 d D . .
F67 F 0.9173(3) 1.0434(2) 0.3621(2) 0.0668(11) Uani 1 1 d D . .
F68 F 0.8503(3) 0.9871(2) 0.42975(15) 0.0537(9) Uani 1 1 d D . .
F69 F 0.9457(3) 0.9267(3) 0.37498(17) 0.0602(10) Uani 1 1 d D . .
S67 S 0.75024(10) 0.92697(8) 0.31754(6) 0.0367(3) Uani 1 1 d D . .
C70 C 0.3177(4) 0.9353(3) 0.9076(3) 0.0452(13) Uani 1 1 d D . .
O70 O 0.3088(3) 0.7889(2) 0.8577(2) 0.0476(10) Uani 1 1 d D . .
O71 O 0.2812(3) 0.8863(3) 0.79233(18) 0.0508(10) Uani 1 1 d D . .
O72 O 0.1431(3) 0.8408(2) 0.84670(18) 0.0413(8) Uani 1 1 d D . .
F70 F 0.4246(3) 0.9514(2) 0.9144(2) 0.0756(13) Uani 1 1 d D . .
F71 F 0.2817(3) 1.0027(2) 0.89943(18) 0.0558(9) Uani 1 1 d D . .
F72 F 0.2902(4) 0.9173(3) 0.95897(17) 0.0732(12) Uani 1 1 d D . .
S70 S 0.25630(10) 0.85330(8) 0.84388(6) 0.0344(3) Uani 1 1 d D . .
C73 C 0.3043(5) 0.6952(3) 0.2065(3) 0.0524(15) Uani 1 1 d D . .
O73 O 0.4801(3) 0.6700(2) 0.26797(16) 0.0406(8) Uani 1 1 d D . .
O74 O 0.4756(3) 0.8028(2) 0.2457(2) 0.0558(11) Uani 1 1 d D . .
O75 O 0.3811(3) 0.7559(3) 0.32050(17) 0.0499(10) Uani 1 1 d D . .
F73 F 0.3314(5) 0.6884(3) 0.15267(18) 0.0993(18) Uani 1 1 d D . .
F74 F 0.2529(5) 0.6257(3) 0.2124(3) 0.141(3) Uani 1 1 d D . .
F75 F 0.2337(3) 0.7444(2) 0.20715(19) 0.0625(10) Uani 1 1 d D . .
S73 S 0.42280(10) 0.73551(7) 0.26696(5) 0.0317(2) Uani 1 1 d D . .
C76A C 0.9586(11) 0.5128(8) 0.4058(7) 0.056(3) Uani 0.513(6) 1 d PD A 1
O76A O 0.9946(19) 0.5228(18) 0.3006(13) 0.086(5) Uani 0.513(6) 1 d PD A 1
O77A O 0.8132(11) 0.5107(8) 0.3158(6) 0.082(4) Uani 0.513(6) 1 d PD A 1
O78A O 0.8969(13) 0.3947(8) 0.3135(8) 0.096(4) Uani 0.513(6) 1 d PD A 1
F76A F 1.0052(13) 0.5888(7) 0.4245(6) 0.108(4) Uani 0.513(6) 1 d PD A 1
F77A F 1.0322(9) 0.4711(7) 0.4226(5) 0.106(3) Uani 0.513(6) 1 d PD A 1
F78A F 0.8809(17) 0.4990(17) 0.4377(12) 0.091(4) Uani 0.513(6) 1 d PD A 1
S76A S 0.9092(11) 0.4811(8) 0.3253(7) 0.0566(8) Uani 0.513(6) 1 d PD A 1
C76B C 0.9563(12) 0.5317(9) 0.4036(8) 0.056(3) Uani 0.487(6) 1 d PD A 2
O76B O 0.963(2) 0.5270(19) 0.2922(14) 0.086(5) Uani 0.487(6) 1 d PD A 2
O77B O 0.7969(11) 0.4636(8) 0.3156(6) 0.082(4) Uani 0.487(6) 1 d PD A 2
O78B O 0.9595(13) 0.4042(9) 0.3316(9) 0.096(4) Uani 0.487(6) 1 d PD A 2
F76B F 0.9268(12) 0.6012(7) 0.4099(6) 0.108(4) Uani 0.487(6) 1 d PD A 2
F77B F 1.0632(9) 0.5479(9) 0.4197(6) 0.106(3) Uani 0.487(6) 1 d PD A 2
F78B F 0.911(2) 0.4943(18) 0.4429(13) 0.091(4) Uani 0.487(6) 1 d PD A 2
S76B S 0.9114(12) 0.4743(9) 0.3272(7) 0.0566(8) Uani 0.487(6) 1 d PD A 2
O1W O 0.5984(3) 0.8636(2) 0.43056(19) 0.0423(9) Uani 1 1 d D . .
H1WA H 0.643(3) 0.868(4) 0.4628(12) 0.051 Uiso 1 1 d D . .
H1WB H 0.633(3) 0.862(4) 0.4021(15) 0.051 Uiso 1 1 d D . .
O2W O 0.0102(4) 0.2920(4) 0.8199(2) 0.0662(14) Uani 1 1 d D . .
H2WA H -0.0557(13) 0.285(5) 0.804(3) 0.079 Uiso 1 1 d D . .
H2WB H 0.043(4) 0.283(5) 0.7912(19) 0.079 Uiso 1 1 d D . .
O3W O 0.1127(3) 0.1095(2) -0.15677(15) 0.0330(7) Uani 1 1 d D . .
H3WA H 0.073(3) 0.106(3) -0.1907(10) 0.040 Uiso 1 1 d D . .
H3WB H 0.172(2) 0.098(3) -0.1637(19) 0.040 Uiso 1 1 d D . .
O4W O 0.3005(3) 0.0969(2) 0.03319(16) 0.0331(7) Uani 1 1 d D . .
H4WA H 0.303(4) 0.111(3) -0.0004(11) 0.040 Uiso 1 1 d D . .
H4WB H 0.3616(19) 0.116(3) 0.0557(17) 0.040 Uiso 1 1 d D . .
O5W O 0.4585(3) 0.1916(2) 0.13135(18) 0.0381(8) Uani 1 1 d D . .
H5WA H 0.5252(10) 0.205(4) 0.132(2) 0.046 Uiso 1 1 d D . .
H5WB H 0.453(4) 0.170(3) 0.1616(17) 0.046 Uiso 1 1 d D . .
O6W O 0.7040(4) 0.7380(3) 0.1938(2) 0.0564(11) Uani 1 1 d D . .
H6WA H 0.641(2) 0.715(3) 0.195(3) 0.068 Uiso 1 1 d D . .
H6WB H 0.714(5) 0.7849(16) 0.214(3) 0.068 Uiso 1 1 d D . .
O7W O 0.7372(4) 0.6854(3) 0.3048(2) 0.0584(11) Uani 1 1 d D . .
H7WA H 0.702(5) 0.693(3) 0.2724(17) 0.070 Uiso 1 1 d D . .
H7WB H 0.734(6) 0.6355(8) 0.301(3) 0.070 Uiso 1 1 d D . .
O8W O 0.9518(4) 0.6798(4) 0.2869(3) 0.0711(14) Uani 1 1 d D . .
H8WA H 0.905(5) 0.704(4) 0.299(4) 0.085 Uiso 1 1 d D . .
H8WB H 0.946(6) 0.637(3) 0.301(4) 0.085 Uiso 1 1 d D . .
O9W O 0.9971(4) 0.2564(3) 0.3064(2) 0.0667(13) Uani 1 1 d D . .
H9WA H 0.986(5) 0.256(5) 0.3417(13) 0.080 Uiso 1 1 d D . .
H9WB H 0.944(4) 0.271(5) 0.287(3) 0.080 Uiso 1 1 d D . .
O10W O 0.3402(5) 0.6753(4) 0.7553(3) 0.0737(14) Uani 1 1 d D . .
H10W H 0.284(4) 0.659(5) 0.728(3) 0.088 Uiso 1 1 d D . .
H11W H 0.327(6) 0.713(4) 0.780(3) 0.088 Uiso 1 1 d D . .
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'
N N 0.0061 0.0033 '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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
O1 Pb1 O21 72.67(10) . .
O1 Pb1 N21 82.91(12) . .
O21 Pb1 N21 64.85(11) . .
O1 Pb1 N1 63.46(11) . .
O21 Pb1 N1 134.29(11) . .
N21 Pb1 N1 96.52(12) . .
O1 Pb1 O61 76.95(11) . .
O21 Pb1 O61 68.62(10) . .
N21 Pb1 O61 132.93(11) . .
N1 Pb1 O61 111.07(10) . .
N3 Pb2 O1 62.61(11) . .
N3 Pb2 O41 127.64(11) . .
O1 Pb2 O41 137.12(10) . .
N3 Pb2 N41 80.00(12) . .
O1 Pb2 N41 81.70(11) . .
O41 Pb2 N41 63.07(11) . .
N3 Pb2 N5 61.76(11) . .
O1 Pb2 N5 123.29(10) . .
O41 Pb2 N5 75.11(11) . .
N41 Pb2 N5 78.93(12) . .
O2 Pb3 N8 63.60(11) . .
O2 Pb3 N30 81.87(11) . .
N8 Pb3 N30 80.42(12) . .
O2 Pb3 O22 137.52(11) . .
N8 Pb3 O22 131.40(11) . .
N30 Pb3 O22 66.00(11) . .
O2 Pb3 N6 125.79(11) . .
N8 Pb3 N6 62.63(11) . .
N30 Pb3 N6 83.21(12) . .
O22 Pb3 N6 78.81(11) . .
O2 Pb4 O42 72.64(10) . .
O2 Pb4 N50 85.81(12) . .
O42 Pb4 N50 66.39(11) . .
O2 Pb4 N10 62.70(11) . .
O42 Pb4 N10 129.35(11) . .
N50 Pb4 N10 87.03(13) . .
N1 C1 C2 123.3(4) . .
N1 C1 H1 118.4 . .
C2 C1 H1 118.4 . .
C1 C2 C3 118.0(4) . .
C1 C2 H2 121.0 . .
C3 C2 H2 121.0 . .
C2 C3 C4 119.3(4) . .
C2 C3 H3 120.3 . .
C4 C3 H3 120.3 . .
C5 C4 C3 118.5(4) . .
C5 C4 H4 120.8 . .
C3 C4 H4 120.8 . .
N1 C5 C4 122.8(4) . .
N1 C5 C6 115.3(4) . .
C4 C5 C6 121.9(4) . .
O1 C6 N2 125.8(4) . .
O1 C6 C5 117.5(4) . .
N2 C6 C5 116.7(4) . .
N3 C7 N4 124.9(4) . .
N3 C7 C8 115.7(4) . .
N4 C7 C8 119.3(4) . .
N5 C8 C10 120.9(4) . .
N5 C8 C7 116.5(4) . .
C10 C8 C7 122.6(4) . .
N6 C9 N5 126.6(4) . .
N6 C9 H9 116.7 . .
N5 C9 H9 116.7 . .
C11 C10 C8 117.7(4) . .
C11 C10 H10 121.2 . .
C8 C10 H10 121.2 . .
N6 C11 C10 120.7(4) . .
N6 C11 C12 116.2(4) . .
C10 C11 C12 123.0(4) . .
N8 C12 N7 124.2(4) . .
N8 C12 C11 115.7(4) . .
N7 C12 C11 119.9(4) . .
O2 C13 N9 125.9(4) . .
O2 C13 C14 116.9(4) . .
N9 C13 C14 117.1(4) . .
N10 C14 C15 123.2(4) . .
N10 C14 C13 114.3(4) . .
C15 C14 C13 122.5(4) . .
C14 C15 C16 118.3(5) . .
C14 C15 H15 120.8 . .
C16 C15 H15 120.8 . .
C15 C16 C17 118.8(5) . .
C15 C16 H16 120.6 . .
C17 C16 H16 120.6 . .
C18 C17 C16 118.9(5) . .
C18 C17 H17 120.5 . .
C16 C17 H17 120.5 . .
N10 C18 C17 123.1(5) . .
N10 C18 H18 118.5 . .
C17 C18 H18 118.5 . .
C1 N1 C5 118.1(4) . .
C1 N1 Pb1 124.9(3) . .
C5 N1 Pb1 116.2(3) . .
C6 N2 N3 112.2(3) . .
C7 N3 N2 112.6(3) . .
C7 N3 Pb2 126.8(3) . .
N2 N3 Pb2 120.4(2) . .
C7 N4 H4A 120.0 . .
C7 N4 H4B 120.0 . .
H4A N4 H4B 120.0 . .
C9 N5 C8 116.8(4) . .
C9 N5 Pb2 124.4(3) . .
C8 N5 Pb2 118.6(3) . .
C9 N6 C11 117.1(4) . .
C9 N6 Pb3 123.0(3) . .
C11 N6 Pb3 118.9(3) . .
C12 N7 H7A 120.0 . .
C12 N7 H7B 120.0 . .
H7A N7 H7B 120.0 . .
C12 N8 N9 114.2(4) . .
C12 N8 Pb3 125.9(3) . .
N9 N8 Pb3 119.8(3) . .
C13 N9 N8 111.4(4) . .
C14 N10 C18 117.7(4) . .
C14 N10 Pb4 117.5(3) . .
C18 N10 Pb4 124.8(3) . .
C6 O1 Pb1 126.8(3) . .
C6 O1 Pb2 117.3(3) . .
Pb1 O1 Pb2 113.89(12) . .
C13 O2 Pb4 128.2(3) . .
C13 O2 Pb3 119.0(3) . .
Pb4 O2 Pb3 112.21(12) . .
N21 C21 C22 122.9(5) . .
N21 C21 H21 118.5 . .
C22 C21 H21 118.5 . .
C21 C22 C23 119.0(5) . .
C21 C22 H22 120.5 . .
C23 C22 H22 120.5 . .
C22 C23 C24 118.9(5) . .
C22 C23 H23 120.5 . .
C24 C23 H23 120.5 . .
C23 C24 C25 118.9(5) . .
C23 C24 H24 120.5 . .
C25 C24 H24 120.5 . .
N21 C25 C24 122.1(4) . .
N21 C25 C26 115.7(4) . .
C24 C25 C26 122.2(4) . .
O21 C26 N22 126.7(4) . .
O21 C26 C25 118.6(4) . .
N22 C26 C25 114.7(4) . .
N23 C27 N24 121.8(4) . .
N23 C27 C28 119.3(4) . .
N24 C27 C28 118.9(4) . .
N25 C28 C30 122.8(4) . .
N25 C28 C27 116.2(4) . .
C30 C28 C27 120.8(4) . .
N25 C29 N26 127.4(4) . .
N25 C29 H29 116.3 . .
N26 C29 H29 116.3 . .
C28 C30 C31 116.3(4) . .
C28 C30 H30 121.8 . .
C31 C30 H30 121.8 . .
N26 C31 C30 122.1(4) . .
N26 C31 C32 115.4(4) . .
C30 C31 C32 122.4(4) . .
N28 C32 N27 127.5(4) . .
N28 C32 C31 115.9(4) . .
N27 C32 C31 116.5(4) . .
O22 C33 N29 122.2(4) . .
O22 C33 C34 121.3(4) . .
N29 C33 C34 116.5(4) . .
N30 C34 C35 122.0(4) . .
N30 C34 C33 113.8(4) . .
C35 C34 C33 124.1(4) . .
C34 C35 C36 119.3(4) . .
C34 C35 H35 120.4 . .
C36 C35 H35 120.4 . .
C35 C36 C37 118.9(5) . .
C35 C36 H36 120.5 . .
C37 C36 H36 120.5 . .
C38 C37 C36 118.5(4) . .
C38 C37 H37 120.8 . .
C36 C37 H37 120.8 . .
N30 C38 C37 123.1(4) . .
N30 C38 H38 118.4 . .
C37 C38 H38 118.4 . .
C25 N21 C21 118.2(4) . .
C25 N21 Pb1 116.1(3) . .
C21 N21 Pb1 125.4(3) . .
C26 N22 N23 112.7(4) . .
C27 N23 N22 117.3(4) . .
C27 N23 H23A 121.3 . .
N22 N23 H23A 121.3 . .
C27 N24 H24A 120.0 . .
C27 N24 H24B 120.0 . .
H24A N24 H24B 120.0 . .
C29 N25 C28 115.4(4) . .
C29 N26 C31 116.0(4) . .
C32 N27 H27A 120.0 . .
C32 N27 H27B 120.0 . .
H27A N27 H27B 120.0 . .
C32 N28 N29 112.9(4) . .
C33 N29 N28 118.3(4) . .
C33 N29 H29A 120.8 . .
N28 N29 H29A 120.8 . .
C38 N30 C34 118.1(4) . .
C38 N30 Pb3 122.3(3) . .
C34 N30 Pb3 119.0(3) . .
C26 O21 Pb1 118.9(3) . .
C33 O22 Pb3 117.6(3) . .
N41 C41 C42 122.8(4) . .
N41 C41 H41 118.6 . .
C42 C41 H41 118.6 . .
C43 C42 C41 119.0(5) . .
C43 C42 H42 120.5 . .
C41 C42 H42 120.5 . .
C42 C43 C44 118.9(5) . .
C42 C43 H43 120.6 . .
C44 C43 H43 120.6 . .
C43 C44 C45 119.0(4) . .
C43 C44 H44 120.5 . .
C45 C44 H44 120.5 . .
N41 C45 C44 122.5(4) . .
N41 C45 C46 113.9(4) . .
C44 C45 C46 123.6(4) . .
O41 C46 N42 123.9(4) . .
O41 C46 C45 119.9(4) . .
N42 C46 C45 116.2(4) . .
N43 C47 N44 128.7(4) . .
N43 C47 C48 113.7(4) . .
N44 C47 C48 117.5(4) . .
N45 C48 C50 122.6(4) . .
N45 C48 C47 117.0(4) . .
C50 C48 C47 120.4(4) . .
N46 C49 N45 126.8(4) . .
N46 C49 H49 116.6 . .
N45 C49 H49 116.6 . .
C51 C50 C48 115.8(4) . .
C51 C50 H50 122.1 . .
C48 C50 H50 122.1 . .
N46 C51 C50 123.2(4) . .
N46 C51 C52 114.5(4) . .
C50 C51 C52 122.2(4) . .
N47 C52 N48 122.5(4) . .
N47 C52 C51 119.0(4) . .
N48 C52 C51 118.5(4) . .
O42 C53 N49 126.0(4) . .
O42 C53 C54 118.8(4) . .
N49 C53 C54 115.2(4) . .
N50 C54 C55 121.5(4) . .
N50 C54 C53 115.6(4) . .
C55 C54 C53 123.0(4) . .
C56 C55 C54 119.0(5) . .
C56 C55 H55 120.5 . .
C54 C55 H55 120.5 . .
C55 C56 C57 119.7(5) . .
C55 C56 H56 120.2 . .
C57 C56 H56 120.2 . .
C56 C57 C58 118.3(5) . .
C56 C57 H57 120.8 . .
C58 C57 H57 120.8 . .
N50 C58 C57 122.6(5) . .
N50 C58 H58 118.7 . .
C57 C58 H58 118.7 . .
C41 N41 C45 117.9(4) . .
C41 N41 Pb2 121.8(3) . .
C45 N41 Pb2 120.3(3) . .
C46 N42 N43 116.8(4) . .
C46 N42 H42A 121.6 . .
N43 N42 H42A 121.6 . .
C47 N43 N42 113.6(4) . .
C47 N44 H44A 120.0 . .
C47 N44 H44B 120.0 . .
H44A N44 H44B 120.0 . .
C48 N45 C49 116.0(4) . .
C49 N46 C51 115.7(4) . .
C52 N47 H47A 120.0 . .
C52 N47 H47B 120.0 . .
H47A N47 H47B 120.0 . .
C52 N48 N49 119.0(4) . .
C52 N48 H48 120.5 . .
N49 N48 H48 120.5 . .
C53 N49 N48 111.5(4) . .
C58 N50 C54 119.0(4) . .
C58 N50 Pb4 125.4(3) . .
C54 N50 Pb4 114.1(3) . .
C46 O41 Pb2 122.6(3) . .
C53 O42 Pb4 113.7(3) . .
F61 C61 F63 108.3(4) . .
F61 C61 F62 109.0(4) . .
F63 C61 F62 108.1(5) . .
F61 C61 S61 110.8(4) . .
F63 C61 S61 110.2(4) . .
F62 C61 S61 110.3(4) . .
S61 O61 Pb1 119.54(18) . .
O62 S61 O63 115.5(2) . .
O62 S61 O61 113.9(2) . .
O63 S61 O61 113.8(2) . .
O62 S61 C61 105.6(3) . .
O63 S61 C61 103.8(2) . .
O61 S61 C61 102.4(2) . .
F65 C64 F64 107.9(5) . .
F65 C64 F66 107.6(5) . .
F64 C64 F66 109.2(5) . .
F65 C64 S64 110.9(4) . .
F64 C64 S64 110.4(4) . .
F66 C64 S64 110.7(4) . .
O65 S64 O66 114.8(3) . .
O65 S64 O64 115.2(2) . .
O66 S64 O64 114.8(2) . .
O65 S64 C64 103.1(2) . .
O66 S64 C64 103.7(3) . .
O64 S64 C64 102.9(2) . .
F69 C67 F67 107.7(4) . .
F69 C67 F68 107.1(4) . .
F67 C67 F68 107.9(5) . .
F69 C67 S67 112.1(4) . .
F67 C67 S67 110.6(4) . .
F68 C67 S67 111.2(4) . .
O69 S67 O68 114.9(2) . .
O69 S67 O67 116.8(3) . .
O68 S67 O67 113.0(3) . .
O69 S67 C67 103.9(2) . .
O68 S67 C67 102.4(2) . .
O67 S67 C67 103.6(3) . .
F70 C70 F72 109.6(5) . .
F70 C70 F71 108.0(4) . .
F72 C70 F71 106.9(5) . .
F70 C70 S70 111.4(4) . .
F72 C70 S70 110.2(4) . .
F71 C70 S70 110.6(4) . .
O70 S70 O71 116.2(3) . .
O70 S70 O72 114.8(2) . .
O71 S70 O72 113.8(2) . .
O70 S70 C70 103.3(2) . .
O71 S70 C70 103.1(3) . .
O72 S70 C70 103.3(2) . .
F74 C73 F73 109.4(6) . .
F74 C73 F75 106.6(6) . .
F73 C73 F75 106.8(5) . .
F74 C73 S73 112.1(4) . .
F73 C73 S73 111.0(5) . .
F75 C73 S73 110.8(4) . .
O75 S73 O74 114.9(3) . .
O75 S73 O73 113.6(2) . .
O74 S73 O73 114.8(3) . .
O75 S73 C73 105.3(3) . .
O74 S73 C73 102.2(3) . .
O73 S73 C73 104.1(2) . .
F76A C76A F77A 106.1(12) . .
F76A C76A F78A 106.2(14) . .
F77A C76A F78A 107.2(14) . .
F76A C76A S76A 115.8(11) . .
F77A C76A S76A 108.5(10) . .
F78A C76A S76A 112.5(13) . .
O77A S76A O78A 115.9(11) . .
O77A S76A O76A 113.3(13) . .
O78A S76A O76A 114.6(14) . .
O77A S76A C76A 103.2(9) . .
O78A S76A C76A 105.3(10) . .
O76A S76A C76A 102.4(11) . .
F76B C76B F77B 105.9(12) . .
F76B C76B F78B 104.4(15) . .
F77B C76B F78B 111.2(15) . .
F76B C76B S76B 112.3(11) . .
F77B C76B S76B 111.7(11) . .
F78B C76B S76B 111.0(14) . .
O77B S76B O76B 113.8(13) . .
O77B S76B O78B 118.4(12) . .
O76B S76B O78B 113.1(14) . .
O77B S76B C76B 105.5(10) . .
O76B S76B C76B 102.1(13) . .
O78B S76B C76B 101.2(10) . .
H1WA O1W H1WB 107.1(9) . .
H2WA O2W H2WB 106.7(9) . .
H3WA O3W H3WB 106.7(9) . .
H4WA O4W H4WB 106.8(9) . .
H5WA O5W H5WB 106.7(9) . .
H6WA O6W H6WB 106.6(9) . .
H7WA O7W H7WB 106.7(9) . .
H8WA O8W H8WB 106.3(9) . .
H9WA O9W H9WB 106.8(9) . .
H10W O10W H11W 106.3(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O1 2.394(3) .
Pb1 O21 2.459(3) .
Pb1 N21 2.579(4) .
Pb1 N1 2.669(4) .
Pb1 O61 2.752(3) .
Pb2 N3 2.503(3) .
Pb2 O1 2.510(3) .
Pb2 O41 2.550(3) .
Pb2 N41 2.587(4) .
Pb2 N5 2.669(4) .
Pb3 O2 2.418(3) .
Pb3 N8 2.487(4) .
Pb3 N30 2.487(4) .
Pb3 O22 2.511(3) .
Pb3 N6 2.617(4) .
Pb4 O2 2.382(3) .
Pb4 O42 2.437(3) .
Pb4 N50 2.496(4) .
Pb4 N10 2.665(4) .
C1 N1 1.342(6) .
C1 C2 1.390(6) .
C1 H1 0.9500 .
C2 C3 1.391(6) .
C2 H2 0.9500 .
C3 C4 1.394(6) .
C3 H3 0.9500 .
C4 C5 1.388(6) .
C4 H4 0.9500 .
C5 N1 1.344(6) .
C5 C6 1.499(6) .
C6 O1 1.299(5) .
C6 N2 1.302(6) .
C7 N3 1.303(5) .
C7 N4 1.334(5) .
C7 C8 1.493(6) .
C8 N5 1.346(6) .
C8 C10 1.395(6) .
C9 N6 1.317(6) .
C9 N5 1.333(6) .
C9 H9 0.9500 .
C10 C11 1.391(6) .
C10 H10 0.9500 .
C11 N6 1.352(6) .
C11 C12 1.491(6) .
C12 N8 1.304(6) .
C12 N7 1.339(6) .
C13 O2 1.294(5) .
C13 N9 1.305(6) .
C13 C14 1.498(6) .
C14 N10 1.341(6) .
C14 C15 1.383(7) .
C15 C16 1.391(7) .
C15 H15 0.9500 .
C16 C17 1.392(8) .
C16 H16 0.9500 .
C17 C18 1.370(8) .
C17 H17 0.9500 .
C18 N10 1.348(6) .
C18 H18 0.9500 .
N2 N3 1.402(5) .
N4 H4A 0.8800 .
N4 H4B 0.8800 .
N7 H7A 0.8800 .
N7 H7B 0.8800 .
N8 N9 1.394(5) .
C21 N21 1.356(6) .
C21 C22 1.369(8) .
C21 H21 0.9500 .
C22 C23 1.385(8) .
C22 H22 0.9500 .
C23 C24 1.388(7) .
C23 H23 0.9500 .
C24 C25 1.395(7) .
C24 H24 0.9500 .
C25 N21 1.337(6) .
C25 C26 1.498(6) .
C26 O21 1.281(5) .
C26 N22 1.304(6) .
C27 N23 1.307(5) .
C27 N24 1.322(6) .
C27 C28 1.489(6) .
C28 N25 1.341(6) .
C28 C30 1.387(6) .
C29 N25 1.329(6) .
C29 N26 1.335(6) .
C29 H29 0.9500 .
C30 C31 1.391(6) .
C30 H30 0.9500 .
C31 N26 1.337(6) .
C31 C32 1.499(6) .
C32 N28 1.297(6) .
C32 N27 1.329(6) .
C33 O22 1.250(5) .
C33 N29 1.329(6) .
C33 C34 1.495(6) .
C34 N30 1.358(6) .
C34 C35 1.378(6) .
C35 C36 1.381(7) .
C35 H35 0.9500 .
C36 C37 1.392(7) .
C36 H36 0.9500 .
C37 C38 1.380(7) .
C37 H37 0.9500 .
C38 N30 1.335(6) .
C38 H38 0.9500 .
N22 N23 1.394(5) .
N23 H23A 0.8800 .
N24 H24A 0.8800 .
N24 H24B 0.8800 .
N27 H27A 0.8800 .
N27 H27B 0.8800 .
N28 N29 1.417(5) .
N29 H29A 0.8800 .
C41 N41 1.336(6) .
C41 C42 1.393(7) .
C41 H41 0.9500 .
C42 C43 1.378(7) .
C42 H42 0.9500 .
C43 C44 1.384(7) .
C43 H43 0.9500 .
C44 C45 1.389(6) .
C44 H44 0.9500 .
C45 N41 1.350(6) .
C45 C46 1.519(6) .
C46 O41 1.236(5) .
C46 N42 1.328(6) .
C47 N43 1.302(6) .
C47 N44 1.333(6) .
C47 C48 1.497(6) .
C48 N45 1.333(6) .
C48 C50 1.392(7) .
C49 N46 1.331(7) .
C49 N45 1.344(6) .
C49 H49 0.9500 .
C50 C51 1.389(6) .
C50 H50 0.9500 .
C51 N46 1.333(6) .
C51 C52 1.489(6) .
C52 N47 1.310(6) .
C52 N48 1.316(6) .
C53 O42 1.295(5) .
C53 N49 1.309(6) .
C53 C54 1.482(6) .
C54 N50 1.349(6) .
C54 C55 1.393(6) .
C55 C56 1.377(7) .
C55 H55 0.9500 .
C56 C57 1.379(8) .
C56 H56 0.9500 .
C57 C58 1.391(7) .
C57 H57 0.9500 .
C58 N50 1.333(6) .
C58 H58 0.9500 .
N42 N43 1.399(5) .
N42 H42A 0.8800 .
N44 H44A 0.8800 .
N44 H44B 0.8800 .
N47 H47A 0.8800 .
N47 H47B 0.8800 .
N48 N49 1.395(5) .
N48 H48 0.8800 .
C61 F61 1.321(6) .
C61 F63 1.332(6) .
C61 F62 1.333(6) .
C61 S61 1.818(5) .
O61 S61 1.457(3) .
O62 S61 1.435(4) .
O63 S61 1.436(4) .
C64 F65 1.316(6) .
C64 F64 1.324(7) .
C64 F66 1.328(6) .
C64 S64 1.816(5) .
O64 S64 1.459(3) .
O65 S64 1.432(4) .
O66 S64 1.444(4) .
C67 F69 1.333(6) .
C67 F67 1.335(6) .
C67 F68 1.339(6) .
C67 S67 1.815(5) .
O67 S67 1.441(4) .
O68 S67 1.440(4) .
O69 S67 1.435(4) .
C70 F70 1.326(6) .
C70 F72 1.342(7) .
C70 F71 1.344(6) .
C70 S70 1.815(5) .
O70 S70 1.438(4) .
O71 S70 1.440(4) .
O72 S70 1.441(3) .
C73 F74 1.302(6) .
C73 F73 1.319(7) .
C73 F75 1.336(7) .
C73 S73 1.822(5) .
O73 S73 1.443(3) .
O74 S73 1.432(4) .
O75 S73 1.423(4) .
C76A F76A 1.310(12) .
C76A F77A 1.320(12) .
C76A F78A 1.335(12) .
C76A S76A 1.797(11) .
O76A S76A 1.445(11) .
O77A S76A 1.404(11) .
O78A S76A 1.441(11) .
C76B F76B 1.304(13) .
C76B F77B 1.325(12) .
C76B F78B 1.337(13) .
C76B S76B 1.802(11) .
O76B S76B 1.446(12) .
O77B S76B 1.418(11) .
O78B S76B 1.453(11) .
O1W H1WA 0.840(5) .
O1W H1WB 0.839(5) .
O2W H2WA 0.840(5) .
O2W H2WB 0.842(5) .
O3W H3WA 0.840(5) .
O3W H3WB 0.841(5) .
O4W H4WA 0.840(5) .
O4W H4WB 0.840(5) .
O5W H5WA 0.842(5) .
O5W H5WB 0.841(5) .
O6W H6WA 0.841(5) .
O6W H6WB 0.842(5) .
O7W H7WA 0.841(5) .
O7W H7WB 0.842(5) .
O8W H8WA 0.843(5) .
O8W H8WB 0.844(5) .
O9W H9WA 0.841(5) .
O9W H9WB 0.842(5) .
O10W H10W 0.843(5) .
O10W H11W 0.843(5) .
