#------------------------------------------------------------------------------
#$Date: 2016-03-21 07:44:06 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178579 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/89/4068933.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_4068933
loop_
_publ_author_name
'Jana, Anukul'
'Sarish, Sankaranarayana Pillai'
'Roesky, Herbert W.'
'Schulzke, Carola'
'Döring, Alexander'
'John, Michael'
_publ_section_title
;
 Facile Access of Well-Defined Stable Divalent Lead Compounds with Small
 Organic Substituents
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              2563
_journal_paper_doi               10.1021/om801167c
_journal_volume                  28
_journal_year                    2009
_chemical_formula_sum            'C30 H41 F3 N2 O3 Pb S'
_chemical_formula_weight         773.90
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.80(3)
_cell_angle_beta                 100.97(3)
_cell_angle_gamma                93.75(3)
_cell_formula_units_Z            8
_cell_length_a                   12.684(3)
_cell_length_b                   24.602(5)
_cell_length_c                   25.044(5)
_cell_measurement_reflns_used    58828
_cell_measurement_temperature    133(2)
_cell_measurement_theta_max      51.8
_cell_measurement_theta_min      2.8
_cell_volume                     7325(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      133(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  IPDSII
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0706
_diffrn_reflns_av_sigmaI/netI    0.1086
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            58828
_diffrn_reflns_theta_full        25.89
_diffrn_reflns_theta_max         25.89
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    4.706
_exptl_absorpt_correction_T_max  0.7387
_exptl_absorpt_correction_T_min  0.5092
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'face indexed'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.403
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       stick
_exptl_crystal_F_000             3072
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.140
_refine_diff_density_min         -2.024
_refine_diff_density_rms         0.136
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1484
_refine_ls_number_reflns         28118
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.890
_refine_ls_R_factor_all          0.0979
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0485P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1022
_refine_ls_wR_factor_ref         0.1146
_reflns_number_gt                16894
_reflns_number_total             28118
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om801167c_si_001.cif
_cod_data_source_block           ja29
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4068933
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
Pb1 Pb 0.69537(3) 0.306420(14) 0.811977(14) 0.03723(8) Uani 1 1 d .
Pb2 Pb 0.87861(3) 0.562157(14) 0.783735(15) 0.04022(9) Uani 1 1 d .
Pb3 Pb 0.88923(3) 0.751711(14) 0.638376(14) 0.04028(9) Uani 1 1 d .
Pb4 Pb 0.88508(3) 1.045141(14) 0.758244(15) 0.03936(9) Uani 1 1 d .
S1 S 0.7880(2) 0.45308(10) 0.86199(11) 0.0452(5) Uani 1 1 d .
S2 S 0.8990(2) 0.59882(10) 0.66095(11) 0.0472(6) Uani 1 1 d .
S3 S 0.9804(2) 0.89799(10) 0.68523(12) 0.0529(6) Uani 1 1 d .
S4 S 0.7037(2) 0.14058(9) 0.80177(11) 0.0459(6) Uani 1 1 d .
F1 F 0.7598(5) 0.4411(3) 0.9584(3) 0.0725(18) Uani 1 1 d .
F2 F 0.6876(6) 0.5113(3) 0.9366(3) 0.0740(18) Uani 1 1 d .
F3 F 0.8590(6) 0.5185(3) 0.9662(3) 0.081(2) Uani 1 1 d .
F4 F 0.9506(6) 0.4971(2) 0.6236(3) 0.081(2) Uani 1 1 d .
F5 F 0.9151(6) 0.5404(3) 0.5595(3) 0.083(2) Uani 1 1 d .
F6 F 1.0658(6) 0.5632(3) 0.6206(3) 0.0717(17) Uani 1 1 d .
F7 F 1.1521(6) 0.8558(3) 0.6565(3) 0.091(2) Uani 1 1 d .
F8 F 1.1032(7) 0.9237(3) 0.6204(4) 0.097(3) Uani 1 1 d .
F9 F 1.1815(6) 0.9430(3) 0.7096(4) 0.104(3) Uani 1 1 d .
F10 F 0.6064(5) 0.0570(2) 0.8267(3) 0.0710(18) Uani 1 1 d .
F11 F 0.5120(5) 0.1257(3) 0.8233(4) 0.089(2) Uani 1 1 d .
F12 F 0.6427(6) 0.1356(3) 0.8946(3) 0.080(2) Uani 1 1 d .
O1 O 0.6882(5) 0.4153(2) 0.8347(3) 0.0445(15) Uani 1 1 d .
O2 O 0.7970(5) 0.5028(2) 0.8416(3) 0.0490(16) Uani 1 1 d .
O3 O 0.8833(5) 0.4248(3) 0.8678(3) 0.0569(18) Uani 1 1 d .
O4 O 0.9662(5) 0.6051(3) 0.7166(3) 0.0501(16) Uani 1 1 d .
O5 O 0.9108(6) 0.6489(3) 0.6414(3) 0.0578(19) Uani 1 1 d .
O6 O 0.7905(5) 0.5730(3) 0.6525(3) 0.0577(18) Uani 1 1 d .
O7 O 0.9150(6) 0.8566(2) 0.6341(3) 0.0520(17) Uani 1 1 d .
O8 O 0.9483(6) 0.9548(2) 0.6945(3) 0.0598(19) Uani 1 1 d .
O9 O 0.9994(6) 0.8773(3) 0.7340(3) 0.0574(18) Uani 1 1 d .
O10 O 0.8069(5) 0.1236(3) 0.8250(3) 0.0504(16) Uani 1 1 d .
O11 O 0.7000(5) 0.2017(2) 0.8196(3) 0.0527(17) Uani 1 1 d .
O12 O 0.6615(6) 0.1116(3) 0.7423(3) 0.0552(17) Uani 1 1 d .
N1 N 0.5384(5) 0.2999(3) 0.8412(3) 0.0369(16) Uani 1 1 d .
N2 N 0.5816(5) 0.2718(3) 0.7243(3) 0.0363(16) Uani 1 1 d .
N3 N 0.9262(6) 0.6324(3) 0.8676(3) 0.0456(19) Uani 1 1 d .
N4 N 1.0427(5) 0.5375(3) 0.8155(3) 0.0359(16) Uani 1 1 d .
N5 N 0.9265(6) 0.7180(3) 0.5513(3) 0.0406(17) Uani 1 1 d .
N6 N 0.7139(6) 0.7216(3) 0.5898(3) 0.0477(19) Uani 1 1 d .
N7 N 1.0620(6) 1.0850(3) 0.7848(3) 0.0382(17) Uani 1 1 d .
N8 N 0.9368(6) 1.0106(3) 0.8335(3) 0.0403(17) Uani 1 1 d .
C1 C 0.7733(10) 0.4829(4) 0.9347(5) 0.060(3) Uani 1 1 d .
C2 C 0.6182(8) 0.2842(4) 0.6770(4) 0.045(2) Uani 1 1 d .
C3 C 0.5866(8) 0.3323(4) 0.6612(4) 0.050(2) Uani 1 1 d .
C4 C 0.6243(8) 0.3434(4) 0.6155(4) 0.052(2) Uani 1 1 d .
H4 H 0.6025 0.3749 0.6031 0.067(6) Uiso 1 1 calc R
C5 C 0.6921(9) 0.3098(5) 0.5882(4) 0.059(3) Uani 1 1 d .
H5 H 0.7171 0.3183 0.5576 0.067(6) Uiso 1 1 calc R
C6 C 0.7232(8) 0.2633(4) 0.6060(4) 0.053(3) Uani 1 1 d .
H6 H 0.7700 0.2403 0.5870 0.067(6) Uiso 1 1 calc R
C7 C 0.6887(7) 0.2493(4) 0.6503(4) 0.044(2) Uani 1 1 d .
C8 C 0.5146(8) 0.3705(4) 0.6922(5) 0.059(3) Uani 1 1 d .
H8 H 0.5291 0.3680 0.7321 0.066(8) Uiso 1 1 calc R
C9 C 0.3974(9) 0.3497(6) 0.6672(6) 0.087(4) Uani 1 1 d .
H9A H 0.3532 0.3749 0.6884 0.091(4) Uiso 1 1 calc R
H9B H 0.3815 0.3110 0.6695 0.091(4) Uiso 1 1 calc R
H9C H 0.3805 0.3496 0.6273 0.091(4) Uiso 1 1 calc R
C10 C 0.5398(12) 0.4332(5) 0.6958(6) 0.085(4) Uani 1 1 d .
H10A H 0.5203 0.4380 0.6577 0.091(4) Uiso 1 1 calc R
H10B H 0.6173 0.4455 0.7114 0.091(4) Uiso 1 1 calc R
H10C H 0.4981 0.4562 0.7206 0.091(4) Uiso 1 1 calc R
C11 C 0.7256(8) 0.1984(4) 0.6681(4) 0.048(2) Uani 1 1 d .
H11 H 0.6780 0.1893 0.6929 0.066(8) Uiso 1 1 calc R
C12 C 0.8421(8) 0.2113(4) 0.7024(4) 0.056(3) Uani 1 1 d .
H12A H 0.8901 0.2212 0.6791 0.091(4) Uiso 1 1 calc R
H12B H 0.8636 0.1777 0.7135 0.091(4) Uiso 1 1 calc R
H12C H 0.8475 0.2433 0.7365 0.091(4) Uiso 1 1 calc R
C13 C 0.7156(9) 0.1455(4) 0.6169(5) 0.066(3) Uani 1 1 d .
H13A H 0.6435 0.1400 0.5922 0.091(4) Uiso 1 1 calc R
H13B H 0.7264 0.1120 0.6303 0.091(4) Uiso 1 1 calc R
H13C H 0.7707 0.1509 0.5955 0.091(4) Uiso 1 1 calc R
C14 C 0.4937(7) 0.2342(4) 0.7151(4) 0.042(2) Uani 1 1 d .
C15 C 0.4421(8) 0.1993(4) 0.6549(4) 0.054(3) Uani 1 1 d .
H15A H 0.4307 0.2245 0.6306 0.091(4) Uiso 1 1 calc R
H15B H 0.3724 0.1792 0.6543 0.091(4) Uiso 1 1 calc R
H15C H 0.4898 0.1716 0.6408 0.091(4) Uiso 1 1 calc R
C16 C 0.4462(7) 0.2244(4) 0.7584(4) 0.041(2) Uani 1 1 d .
H16 H 0.3968 0.1905 0.7475 0.067(6) Uiso 1 1 calc R
C17 C 0.4603(7) 0.2564(3) 0.8141(4) 0.0363(19) Uani 1 1 d .
C18 C 0.3813(7) 0.2408(4) 0.8474(4) 0.046(2) Uani 1 1 d .
H18A H 0.4168 0.2210 0.8736 0.091(4) Uiso 1 1 calc R
H18B H 0.3186 0.2158 0.8211 0.091(4) Uiso 1 1 calc R
H18C H 0.3573 0.2755 0.8691 0.091(4) Uiso 1 1 calc R
C19 C 0.5313(7) 0.3386(4) 0.8948(4) 0.039(2) Uani 1 1 d .
C20 C 0.5784(8) 0.3293(4) 0.9465(4) 0.043(2) Uani 1 1 d .
C21 C 0.5726(9) 0.3679(4) 0.9967(4) 0.052(3) Uani 1 1 d .
H21 H 0.6051 0.3620 1.0318 0.067(6) Uiso 1 1 calc R
C22 C 0.5187(9) 0.4160(4) 0.9964(5) 0.060(3) Uani 1 1 d .
H22 H 0.5135 0.4424 1.0312 0.067(6) Uiso 1 1 calc R
C23 C 0.4737(9) 0.4244(4) 0.9453(5) 0.055(3) Uani 1 1 d .
H23 H 0.4370 0.4569 0.9455 0.067(6) Uiso 1 1 calc R
C24 C 0.4796(7) 0.3873(4) 0.8935(4) 0.041(2) Uani 1 1 d .
C25 C 0.6333(8) 0.2764(4) 0.9486(4) 0.051(2) Uani 1 1 d .
H25 H 0.6138 0.2490 0.9095 0.066(8) Uiso 1 1 calc R
C26 C 0.7562(9) 0.2911(5) 0.9639(4) 0.062(3) Uani 1 1 d .
H26A H 0.7785 0.3168 1.0027 0.091(4) Uiso 1 1 calc R
H26B H 0.7787 0.3099 0.9373 0.091(4) Uiso 1 1 calc R
H26C H 0.7903 0.2562 0.9615 0.091(4) Uiso 1 1 calc R
C27 C 0.5954(10) 0.2465(4) 0.9886(4) 0.059(3) Uani 1 1 d .
H27A H 0.6199 0.2707 1.0279 0.091(4) Uiso 1 1 calc R
H27B H 0.6257 0.2103 0.9845 0.091(4) Uiso 1 1 calc R
H27C H 0.5162 0.2392 0.9792 0.091(4) Uiso 1 1 calc R
C28 C 0.4255(8) 0.3974(4) 0.8384(4) 0.051(2) Uani 1 1 d .
H28 H 0.4609 0.3757 0.8082 0.066(8) Uiso 1 1 calc R
C29 C 0.3067(9) 0.3744(4) 0.8211(6) 0.067(3) Uani 1 1 d .
H29A H 0.2988 0.3328 0.8121 0.091(4) Uiso 1 1 calc R
H29B H 0.2729 0.3853 0.7876 0.091(4) Uiso 1 1 calc R
H29C H 0.2712 0.3902 0.8525 0.091(4) Uiso 1 1 calc R
C30 C 0.4396(9) 0.4605(4) 0.8390(5) 0.062(3) Uani 1 1 d .
H30A H 0.4027 0.4829 0.8669 0.091(4) Uiso 1 1 calc R
H30B H 0.4083 0.4635 0.8012 0.091(4) Uiso 1 1 calc R
H30C H 0.5168 0.4749 0.8493 0.091(4) Uiso 1 1 calc R
C31 C 0.9613(10) 0.5477(5) 0.6146(5) 0.063(3) Uani 1 1 d .
C32 C 0.8792(8) 0.6851(4) 0.8734(4) 0.045(2) Uani 1 1 d .
C33 C 0.9362(8) 0.7315(4) 0.8635(4) 0.042(2) Uani 1 1 d .
C34 C 0.8913(9) 0.7824(4) 0.8723(4) 0.053(3) Uani 1 1 d .
H34 H 0.9296 0.8143 0.8671 0.067(6) Uiso 1 1 calc R
C35 C 0.7946(9) 0.7884(4) 0.8881(5) 0.059(3) Uani 1 1 d .
H35 H 0.7673 0.8241 0.8945 0.067(6) Uiso 1 1 calc R
C36 C 0.7366(10) 0.7416(5) 0.8946(5) 0.066(3) Uani 1 1 d .
H36 H 0.6683 0.7456 0.9046 0.067(6) Uiso 1 1 calc R
C37 C 0.7760(9) 0.6886(4) 0.8867(5) 0.058(3) Uani 1 1 d .
C38 C 1.0424(7) 0.7265(4) 0.8449(4) 0.042(2) Uani 1 1 d .
H38 H 1.0463 0.6850 0.8280 0.066(8) Uiso 1 1 calc R
C39 C 1.1385(10) 0.7488(7) 0.8941(5) 0.093(5) Uani 1 1 d .
H39A H 1.1377 0.7896 0.9114 0.091(4) Uiso 1 1 calc R
H39B H 1.2054 0.7429 0.8803 0.091(4) Uiso 1 1 calc R
H39C H 1.1349 0.7285 0.9224 0.091(4) Uiso 1 1 calc R
C40 C 1.0492(9) 0.7557(5) 0.7984(5) 0.063(3) Uani 1 1 d .
H40A H 0.9875 0.7399 0.7663 0.091(4) Uiso 1 1 calc R
H40B H 1.1167 0.7491 0.7855 0.091(4) Uiso 1 1 calc R
H40C H 1.0477 0.7967 0.8139 0.091(4) Uiso 1 1 calc R
C41 C 0.7097(11) 0.6373(5) 0.8918(7) 0.088(5) Uani 1 1 d .
H41 H 0.7594 0.6082 0.8963 0.066(8) Uiso 1 1 calc R
C42 C 0.6605(14) 0.6525(7) 0.9428(9) 0.141(8) Uani 1 1 d .
H42A H 0.7157 0.6746 0.9760 0.091(4) Uiso 1 1 calc R
H42B H 0.6324 0.6176 0.9498 0.091(4) Uiso 1 1 calc R
H42C H 0.6013 0.6751 0.9361 0.091(4) Uiso 1 1 calc R
C43 C 0.6232(11) 0.6114(6) 0.8370(8) 0.116(6) Uani 1 1 d .
H43A H 0.5888 0.5748 0.8377 0.091(4) Uiso 1 1 calc R
H43B H 0.6572 0.6053 0.8041 0.091(4) Uiso 1 1 calc R
H43C H 0.5685 0.6374 0.8340 0.091(4) Uiso 1 1 calc R
C44 C 0.9803(7) 0.6218(4) 0.9140(4) 0.042(2) Uani 1 1 d .
C45 C 0.9761(9) 0.6618(4) 0.9720(4) 0.059(3) Uani 1 1 d .
H45A H 1.0088 0.7001 0.9755 0.091(4) Uiso 1 1 calc R
H45B H 1.0161 0.6480 1.0021 0.091(4) Uiso 1 1 calc R
H45C H 0.9006 0.6629 0.9755 0.091(4) Uiso 1 1 calc R
C46 C 1.0416(7) 0.5774(4) 0.9150(4) 0.040(2) Uani 1 1 d .
H46 H 1.0618 0.5705 0.9509 0.067(6) Uiso 1 1 calc R
C47 C 1.0781(7) 0.5411(4) 0.8705(4) 0.039(2) Uani 1 1 d .
C48 C 1.1604(9) 0.5031(4) 0.8866(4) 0.056(3) Uani 1 1 d .
H48A H 1.1227 0.4678 0.8884 0.091(4) Uiso 1 1 calc R
H48B H 1.2069 0.5229 0.9239 0.091(4) Uiso 1 1 calc R
H48C H 1.2048 0.4942 0.8581 0.091(4) Uiso 1 1 calc R
C49 C 1.1004(7) 0.5105(3) 0.7731(4) 0.0356(19) Uani 1 1 d .
C50 C 1.0649(8) 0.4533(4) 0.7396(4) 0.049(2) Uani 1 1 d .
C51 C 1.1179(8) 0.4299(4) 0.6968(4) 0.049(2) Uani 1 1 d .
H51 H 1.0937 0.3922 0.6730 0.067(6) Uiso 1 1 calc R
C52 C 1.2047(8) 0.4602(4) 0.6880(4) 0.053(3) Uani 1 1 d .
H52 H 1.2406 0.4427 0.6589 0.067(6) Uiso 1 1 calc R
C53 C 1.2406(8) 0.5159(4) 0.7209(4) 0.047(2) Uani 1 1 d .
H53 H 1.3000 0.5364 0.7139 0.067(6) Uiso 1 1 calc R
C54 C 1.1893(7) 0.5419(4) 0.7645(3) 0.039(2) Uani 1 1 d .
C55 C 0.9691(8) 0.4192(4) 0.7491(5) 0.055(3) Uani 1 1 d .
H55 H 0.9465 0.4429 0.7833 0.066(8) Uiso 1 1 calc R
C56 C 0.8728(9) 0.4066(5) 0.6991(5) 0.072(3) Uani 1 1 d .
H56A H 0.8546 0.4423 0.6915 0.091(4) Uiso 1 1 calc R
H56B H 0.8106 0.3880 0.7081 0.091(4) Uiso 1 1 calc R
H56C H 0.8912 0.3814 0.6653 0.091(4) Uiso 1 1 calc R
C57 C 1.0005(9) 0.3642(4) 0.7612(6) 0.072(3) Uani 1 1 d .
H57A H 1.0196 0.3393 0.7276 0.091(4) Uiso 1 1 calc R
H57B H 0.9393 0.3450 0.7705 0.091(4) Uiso 1 1 calc R
H57C H 1.0628 0.3732 0.7934 0.091(4) Uiso 1 1 calc R
C58 C 1.2266(8) 0.6025(4) 0.7992(4) 0.047(2) Uani 1 1 d .
H58 H 1.1681 0.6164 0.8192 0.066(8) Uiso 1 1 calc R
C59 C 1.3272(11) 0.6074(5) 0.8441(5) 0.084(4) Uani 1 1 d .
H59A H 1.3101 0.5894 0.8724 0.091(4) Uiso 1 1 calc R
H59B H 1.3543 0.6477 0.8627 0.091(4) Uiso 1 1 calc R
H59C H 1.3826 0.5882 0.8264 0.091(4) Uiso 1 1 calc R
C60 C 1.2479(12) 0.6423(5) 0.7646(5) 0.078(4) Uani 1 1 d .
H60A H 1.3069 0.6305 0.7456 0.091(4) Uiso 1 1 calc R
H60B H 1.2682 0.6812 0.7898 0.091(4) Uiso 1 1 calc R
H60C H 1.1823 0.6408 0.7360 0.091(4) Uiso 1 1 calc R
C61 C 1.1120(10) 0.9059(5) 0.6660(6) 0.079(4) Uani 1 1 d .
C62 C 0.6317(7) 0.7482(4) 0.6146(4) 0.047(2) Uani 1 1 d .
C63 C 0.5921(7) 0.7952(4) 0.5985(4) 0.044(2) Uani 1 1 d .
C64 C 0.5101(8) 0.8205(4) 0.6225(5) 0.056(3) Uani 1 1 d .
H64 H 0.4815 0.8514 0.6112 0.067(6) Uiso 1 1 calc R
C65 C 0.4698(8) 0.8009(4) 0.6628(5) 0.060(3) Uani 1 1 d .
H65 H 0.4154 0.8189 0.6798 0.067(6) Uiso 1 1 calc R
C66 C 0.5105(9) 0.7544(4) 0.6778(5) 0.062(3) Uani 1 1 d .
H66 H 0.4828 0.7411 0.7052 0.067(6) Uiso 1 1 calc R
C67 C 0.5884(8) 0.7273(4) 0.6543(4) 0.052(2) Uani 1 1 d .
C68 C 0.6371(10) 0.8188(4) 0.5558(4) 0.058(3) Uani 1 1 d .
H68 H 0.7058 0.8024 0.5505 0.066(8) Uiso 1 1 calc R
C69 C 0.5586(17) 0.8020(7) 0.4990(6) 0.144(8) Uani 1 1 d .
H69A H 0.4849 0.8054 0.5049 0.091(4) Uiso 1 1 calc R
H69B H 0.5637 0.7625 0.4786 0.091(4) Uiso 1 1 calc R
H69C H 0.5763 0.8271 0.4768 0.091(4) Uiso 1 1 calc R
C70 C 0.6614(11) 0.8824(5) 0.5748(6) 0.078(4) Uani 1 1 d .
H70A H 0.5937 0.8993 0.5761 0.091(4) Uiso 1 1 calc R
H70B H 0.6971 0.8948 0.5479 0.091(4) Uiso 1 1 calc R
H70C H 0.7091 0.8947 0.6127 0.091(4) Uiso 1 1 calc R
C71 C 0.6324(9) 0.6781(4) 0.6736(5) 0.056(3) Uani 1 1 d .
H71 H 0.6717 0.6576 0.6447 0.066(8) Uiso 1 1 calc R
C72 C 0.7156(9) 0.7003(4) 0.7313(4) 0.059(3) Uani 1 1 d .
H72A H 0.7757 0.7249 0.7273 0.091(4) Uiso 1 1 calc R
H72B H 0.7434 0.6679 0.7426 0.091(4) Uiso 1 1 calc R
H72C H 0.6802 0.7219 0.7604 0.091(4) Uiso 1 1 calc R
C73 C 0.5425(9) 0.6354(4) 0.6766(5) 0.068(3) Uani 1 1 d .
H73A H 0.5039 0.6539 0.7057 0.091(4) Uiso 1 1 calc R
H73B H 0.5740 0.6032 0.6865 0.091(4) Uiso 1 1 calc R
H73C H 0.4918 0.6217 0.6396 0.091(4) Uiso 1 1 calc R
C74 C 0.6896(8) 0.6766(4) 0.5424(4) 0.049(2) Uani 1 1 d .
C75 C 0.5732(9) 0.6503(5) 0.5216(5) 0.066(3) Uani 1 1 d .
H75A H 0.5516 0.6333 0.5496 0.091(4) Uiso 1 1 calc R
H75B H 0.5652 0.6207 0.4853 0.091(4) Uiso 1 1 calc R
H75C H 0.5272 0.6797 0.5163 0.091(4) Uiso 1 1 calc R
C76 C 0.7642(9) 0.6510(4) 0.5123(4) 0.055(3) Uani 1 1 d .
H76 H 0.7390 0.6138 0.4875 0.067(6) Uiso 1 1 calc R
C77 C 0.8693(8) 0.6713(4) 0.5128(4) 0.050(2) Uani 1 1 d .
C78 C 0.9212(11) 0.6373(5) 0.4677(5) 0.078(4) Uani 1 1 d .
H78A H 0.9495 0.6624 0.4479 0.091(4) Uiso 1 1 calc R
H78B H 0.8674 0.6073 0.4404 0.091(4) Uiso 1 1 calc R
H78C H 0.9807 0.6201 0.4853 0.091(4) Uiso 1 1 calc R
C79 C 1.0211(7) 0.7448(4) 0.5400(3) 0.041(2) Uani 1 1 d .
C80 C 1.1242(8) 0.7304(4) 0.5597(4) 0.044(2) Uani 1 1 d .
C81 C 1.2144(8) 0.7582(4) 0.5500(4) 0.046(2) Uani 1 1 d .
H81 H 1.2841 0.7479 0.5617 0.067(6) Uiso 1 1 calc R
C82 C 1.2042(9) 0.8004(4) 0.5236(4) 0.053(3) Uani 1 1 d .
H82 H 1.2666 0.8206 0.5189 0.067(6) Uiso 1 1 calc R
C83 C 1.1027(9) 0.8132(5) 0.5041(4) 0.059(3) Uani 1 1 d .
H83 H 1.0957 0.8412 0.4843 0.067(6) Uiso 1 1 calc R
C84 C 1.0106(9) 0.7864(4) 0.5126(4) 0.051(2) Uani 1 1 d .
C85 C 1.1395(10) 0.6849(5) 0.5916(6) 0.080(4) Uani 1 1 d .
H85 H 1.0676 0.6630 0.5874 0.066(8) Uiso 1 1 calc R
C86 C 1.1858(11) 0.7154(8) 0.6545(8) 0.131(8) Uani 1 1 d .
H86A H 1.1922 0.6873 0.6759 0.091(4) Uiso 1 1 calc R
H86B H 1.1374 0.7425 0.6689 0.091(4) Uiso 1 1 calc R
H86C H 1.2574 0.7358 0.6590 0.091(4) Uiso 1 1 calc R
C87 C 1.2144(12) 0.6446(6) 0.5688(9) 0.134(8) Uani 1 1 d .
H87A H 1.1852 0.6257 0.5283 0.091(4) Uiso 1 1 calc R
H87B H 1.2216 0.6159 0.5894 0.091(4) Uiso 1 1 calc R
H87C H 1.2856 0.6657 0.5738 0.091(4) Uiso 1 1 calc R
C88 C 0.8996(10) 0.8009(6) 0.4905(6) 0.091(5) Uani 1 1 d .
H88 H 0.8492 0.7907 0.5135 0.066(8) Uiso 1 1 calc R
C89 C 0.8571(13) 0.7645(8) 0.4272(7) 0.146(9) Uani 1 1 d .
H89A H 0.7888 0.7767 0.4117 0.091(4) Uiso 1 1 calc R
H89B H 0.8453 0.7242 0.4253 0.091(4) Uiso 1 1 calc R
H89C H 0.9107 0.7700 0.4050 0.091(4) Uiso 1 1 calc R
C90 C 0.8972(12) 0.8619(7) 0.4936(7) 0.110(6) Uani 1 1 d .
H90A H 0.9294 0.8855 0.5324 0.091(4) Uiso 1 1 calc R
H90B H 0.8221 0.8691 0.4831 0.091(4) Uiso 1 1 calc R
H90C H 0.9385 0.8714 0.4673 0.091(4) Uiso 1 1 calc R
C91 C 0.6102(8) 0.1135(4) 0.8390(5) 0.054(3) Uani 1 1 d .
C92 C 0.8587(8) 1.0001(4) 0.8648(4) 0.043(2) Uani 1 1 d .
C93 C 0.8691(8) 1.0364(4) 0.9194(4) 0.042(2) Uani 1 1 d .
C94 C 0.7951(9) 1.0262(4) 0.9516(5) 0.060(3) Uani 1 1 d .
H94 H 0.8013 1.0505 0.9890 0.067(6) Uiso 1 1 calc R
C95 C 0.7129(9) 0.9813(5) 0.9295(5) 0.062(3) Uani 1 1 d .
H95 H 0.6645 0.9738 0.9520 0.067(6) Uiso 1 1 calc R
C96 C 0.7021(9) 0.9472(5) 0.8742(5) 0.058(3) Uani 1 1 d .
H96 H 0.6444 0.9169 0.8589 0.067(6) Uiso 1 1 calc R
C97 C 0.7732(8) 0.9558(4) 0.8399(4) 0.048(2) Uani 1 1 d .
C98 C 0.9562(8) 1.0882(4) 0.9446(4) 0.049(2) Uani 1 1 d .
H98 H 0.9857 1.0951 0.9124 0.066(8) Uiso 1 1 calc R
C99 C 1.0514(10) 1.0777(5) 0.9871(5) 0.074(3) Uani 1 1 d .
H99A H 1.0809 1.0432 0.9689 0.091(4) Uiso 1 1 calc R
H99B H 1.0262 1.0727 1.0203 0.091(4) Uiso 1 1 calc R
H99C H 1.1079 1.1103 0.9991 0.091(4) Uiso 1 1 calc R
C100 C 0.9135(10) 1.1425(5) 0.9729(6) 0.080(4) Uani 1 1 d .
H10D H 0.8859 1.1377 1.0056 0.091(4) Uiso 1 1 calc R
H10E H 0.8549 1.1506 0.9456 0.091(4) Uiso 1 1 calc R
H10F H 0.9721 1.1741 0.9859 0.091(4) Uiso 1 1 calc R
C101 C 0.7548(8) 0.9202(4) 0.7786(4) 0.050(2) Uani 1 1 d .
H101 H 0.8191 0.9298 0.7637 0.066(8) Uiso 1 1 calc R
C102 C 0.7436(10) 0.8562(4) 0.7711(5) 0.067(3) Uani 1 1 d .
H10G H 0.8117 0.8460 0.7894 0.091(4) Uiso 1 1 calc R
H10H H 0.7265 0.8355 0.7305 0.091(4) Uiso 1 1 calc R
H10I H 0.6853 0.8460 0.7886 0.091(4) Uiso 1 1 calc R
C103 C 0.6569(8) 0.9353(4) 0.7434(4) 0.056(3) Uani 1 1 d .
H10J H 0.5919 0.9251 0.7562 0.091(4) Uiso 1 1 calc R
H10K H 0.6496 0.9144 0.7033 0.091(4) Uiso 1 1 calc R
H10L H 0.6656 0.9763 0.7480 0.091(4) Uiso 1 1 calc R
C104 C 1.0354(8) 0.9929(3) 0.8422(4) 0.043(2) Uani 1 1 d .
C105 C 1.0478(8) 0.9464(4) 0.8728(4) 0.053(2) Uani 1 1 d .
H10D H 1.0000 0.9117 0.8496 0.091(4) Uiso 1 1 calc R
H10E H 1.0283 0.9597 0.9098 0.091(4) Uiso 1 1 calc R
H10F H 1.1231 0.9382 0.8783 0.091(4) Uiso 1 1 calc R
C106 C 1.1241(8) 1.0116(4) 0.8258(4) 0.044(2) Uani 1 1 d .
H106 H 1.1831 0.9900 0.8294 0.067(6) Uiso 1 1 calc R
C107 C 1.1420(7) 1.0578(4) 0.8043(4) 0.041(2) Uani 1 1 d .
C108 C 1.2572(8) 1.0766(4) 0.8043(5) 0.055(3) Uani 1 1 d .
H10G H 1.3055 1.0542 0.8226 0.091(4) Uiso 1 1 calc R
H10H H 1.2760 1.1170 0.8253 0.091(4) Uiso 1 1 calc R
H10I H 1.2654 1.0706 0.7651 0.091(4) Uiso 1 1 calc R
C109 C 1.0854(7) 1.1344(3) 0.7668(4) 0.0375(19) Uani 1 1 d .
C110 C 1.1055(7) 1.1296(4) 0.7130(4) 0.044(2) Uani 1 1 d .
C111 C 1.1290(7) 1.1783(4) 0.6980(4) 0.046(2) Uani 1 1 d .
H111 H 1.1445 1.1753 0.6617 0.067(6) Uiso 1 1 calc R
C112 C 1.1300(7) 1.2316(4) 0.7355(4) 0.047(2) Uani 1 1 d .
H112 H 1.1478 1.2649 0.7251 0.067(6) Uiso 1 1 calc R
C113 C 1.1056(7) 1.2364(4) 0.7876(4) 0.045(2) Uani 1 1 d .
H113 H 1.1032 1.2732 0.8120 0.067(6) Uiso 1 1 calc R
C114 C 1.0842(7) 1.1889(4) 0.8057(4) 0.041(2) Uani 1 1 d .
C115 C 1.0968(9) 1.0714(4) 0.6688(4) 0.055(3) Uani 1 1 d .
H115 H 1.0970 1.0418 0.6893 0.066(8) Uiso 1 1 calc R
C116 C 0.9893(10) 1.0594(5) 0.6249(4) 0.066(3) Uani 1 1 d .
H11A H 0.9844 1.0217 0.5977 0.091(4) Uiso 1 1 calc R
H11B H 0.9860 1.0883 0.6045 0.091(4) Uiso 1 1 calc R
H11C H 0.9290 1.0605 0.6443 0.091(4) Uiso 1 1 calc R
C117 C 1.1935(10) 1.0664(5) 0.6404(5) 0.070(3) Uani 1 1 d .
H11D H 1.1875 1.0279 0.6144 0.091(4) Uiso 1 1 calc R
H11E H 1.2606 1.0736 0.6695 0.091(4) Uiso 1 1 calc R
H11F H 1.1945 1.0943 0.6190 0.091(4) Uiso 1 1 calc R
C118 C 1.0571(7) 1.1947(4) 0.8633(4) 0.042(2) Uani 1 1 d .
H118 H 1.0113 1.1589 0.8602 0.066(8) Uiso 1 1 calc R
C119 C 1.1596(9) 1.1998(5) 0.9084(4) 0.064(3) Uani 1 1 d .
H11G H 1.1945 1.1651 0.8987 0.091(4) Uiso 1 1 calc R
H11H H 1.1408 1.2049 0.9455 0.091(4) Uiso 1 1 calc R
H11I H 1.2094 1.2327 0.9100 0.091(4) Uiso 1 1 calc R
C120 C 0.9914(9) 1.2444(4) 0.8812(5) 0.061(3) Uani 1 1 d .
H12D H 0.9738 1.2454 0.9179 0.091(4) Uiso 1 1 calc R
H12E H 0.9244 1.2393 0.8524 0.091(4) Uiso 1 1 calc R
H12F H 1.0343 1.2804 0.8848 0.091(4) Uiso 1 1 calc R
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
N1 Pb1 N2 82.0(3) . .
N1 Pb1 O1 87.7(2) . .
N2 Pb1 O1 102.6(2) . .
N1 Pb1 O11 83.4(2) . .
N2 Pb1 O11 89.7(2) . .
O1 Pb1 O11 163.6(2) . .
N4 Pb2 N3 82.0(2) . .
N4 Pb2 O4 87.8(2) . .
N3 Pb2 O4 102.4(2) . .
N4 Pb2 O2 88.3(2) . .
N3 Pb2 O2 85.5(2) . .
O4 Pb2 O2 170.60(19) . .
N5 Pb3 N6 83.5(3) . .
N5 Pb3 O5 82.4(2) . .
N6 Pb3 O5 89.1(3) . .
N5 Pb3 O7 91.6(2) . .
N6 Pb3 O7 102.1(2) . .
O5 Pb3 O7 166.6(2) . .
N8 Pb4 N7 81.8(3) . .
N8 Pb4 O10 87.4(2) . 1_565
N7 Pb4 O10 98.1(2) . 1_565
N8 Pb4 O8 87.8(2) . .
N7 Pb4 O8 87.7(2) . .
O10 Pb4 O8 171.9(2) 1_565 .
O3 S1 O1 114.6(4) . .
O3 S1 O2 115.7(4) . .
O1 S1 O2 113.3(4) . .
O3 S1 C1 104.1(5) . .
O1 S1 C1 103.8(5) . .
O2 S1 C1 103.3(4) . .
O6 S2 O4 114.7(4) . .
O6 S2 O5 115.8(4) . .
O4 S2 O5 113.5(4) . .
O6 S2 C31 105.1(5) . .
O4 S2 C31 102.7(5) . .
O5 S2 C31 102.9(5) . .
O9 S3 O8 116.0(4) . .
O9 S3 O7 113.7(4) . .
O8 S3 O7 113.5(4) . .
O9 S3 C61 106.1(6) . .
O8 S3 C61 103.2(5) . .
O7 S3 C61 102.4(5) . .
O12 S4 O11 116.5(4) . .
O12 S4 O10 113.6(4) . .
O11 S4 O10 113.7(4) . .
O12 S4 C91 105.0(5) . .
O11 S4 C91 103.1(4) . .
O10 S4 C91 102.8(4) . .
S1 O1 Pb1 118.2(3) . .
S1 O2 Pb2 152.5(4) . .
S2 O4 Pb2 116.1(4) . .
S2 O5 Pb3 156.8(4) . .
S3 O7 Pb3 115.9(4) . .
S3 O8 Pb4 151.3(4) . .
S4 O10 Pb4 117.7(4) . 1_545
S4 O11 Pb1 158.7(4) . .
C17 N1 C19 120.3(7) . .
C17 N1 Pb1 121.1(5) . .
C19 N1 Pb1 117.9(5) . .
C14 N2 C2 120.5(7) . .
C14 N2 Pb1 121.7(6) . .
C2 N2 Pb1 116.9(5) . .
C44 N3 C32 119.0(8) . .
C44 N3 Pb2 120.3(6) . .
C32 N3 Pb2 119.4(6) . .
C47 N4 C49 121.2(6) . .
C47 N4 Pb2 121.3(5) . .
C49 N4 Pb2 116.9(5) . .
C77 N5 C79 120.1(7) . .
C77 N5 Pb3 121.6(6) . .
C79 N5 Pb3 118.0(5) . .
C74 N6 C62 121.5(8) . .
C74 N6 Pb3 121.0(6) . .
C62 N6 Pb3 117.2(6) . .
C107 N7 C109 120.7(7) . .
C107 N7 Pb4 122.3(6) . .
C109 N7 Pb4 115.5(5) . .
C104 N8 C92 121.3(7) . .
C104 N8 Pb4 119.0(6) . .
C92 N8 Pb4 119.1(5) . .
F3 C1 F2 107.5(9) . .
F3 C1 F1 108.2(9) . .
F2 C1 F1 107.7(9) . .
F3 C1 S1 111.9(8) . .
F2 C1 S1 111.5(8) . .
F1 C1 S1 109.8(7) . .
C3 C2 C7 122.2(9) . .
C3 C2 N2 118.6(8) . .
C7 C2 N2 119.1(8) . .
C4 C3 C2 117.1(9) . .
C4 C3 C8 121.7(9) . .
C2 C3 C8 121.2(9) . .
C5 C4 C3 122.0(9) . .
C4 C5 C6 119.0(10) . .
C7 C6 C5 122.5(9) . .
C6 C7 C2 117.1(9) . .
C6 C7 C11 120.3(8) . .
C2 C7 C11 122.6(8) . .
C9 C8 C3 111.5(9) . .
C9 C8 C10 111.0(10) . .
C3 C8 C10 113.3(10) . .
C7 C11 C12 111.3(8) . .
C7 C11 C13 112.1(8) . .
C12 C11 C13 109.3(8) . .
N2 C14 C16 124.0(8) . .
N2 C14 C15 119.1(9) . .
C16 C14 C15 116.9(9) . .
C17 C16 C14 129.6(9) . .
N1 C17 C16 125.4(8) . .
N1 C17 C18 117.7(8) . .
C16 C17 C18 117.0(8) . .
C20 C19 C24 121.2(8) . .
C20 C19 N1 121.1(7) . .
C24 C19 N1 117.7(8) . .
C21 C20 C19 119.5(8) . .
C21 C20 C25 118.6(9) . .
C19 C20 C25 121.9(8) . .
C20 C21 C22 120.3(10) . .
C23 C22 C21 119.2(9) . .
C22 C23 C24 122.7(9) . .
C23 C24 C19 117.1(9) . .
C23 C24 C28 120.6(8) . .
C19 C24 C28 122.1(8) . .
C27 C25 C20 113.0(8) . .
C27 C25 C26 111.0(9) . .
C20 C25 C26 110.5(8) . .
C24 C28 C29 112.0(9) . .
C24 C28 C30 113.7(8) . .
C29 C28 C30 109.7(8) . .
F6 C31 F4 107.7(9) . .
F6 C31 F5 106.5(10) . .
F4 C31 F5 107.0(10) . .
F6 C31 S2 112.8(8) . .
F4 C31 S2 111.4(8) . .
F5 C31 S2 111.1(7) . .
C37 C32 C33 121.4(8) . .
C37 C32 N3 119.6(8) . .
C33 C32 N3 119.0(8) . .
C34 C33 C32 117.4(8) . .
C34 C33 C38 121.0(9) . .
C32 C33 C38 121.6(7) . .
C35 C34 C33 122.9(10) . .
C34 C35 C36 119.1(9) . .
C35 C36 C37 121.8(10) . .
C36 C37 C32 117.2(9) . .
C36 C37 C41 121.2(9) . .
C32 C37 C41 121.6(8) . .
C33 C38 C39 112.3(8) . .
C33 C38 C40 111.9(8) . .
C39 C38 C40 110.4(9) . .
C42 C41 C37 111.5(11) . .
C42 C41 C43 111.6(13) . .
C37 C41 C43 109.7(12) . .
N3 C44 C46 125.9(8) . .
N3 C44 C45 118.2(8) . .
C46 C44 C45 115.9(8) . .
C44 C46 C47 129.0(8) . .
N4 C47 C46 123.9(7) . .
N4 C47 C48 119.4(8) . .
C46 C47 C48 116.7(8) . .
C54 C49 C50 121.0(8) . .
C54 C49 N4 119.3(7) . .
C50 C49 N4 119.7(8) . .
C51 C50 C49 118.1(9) . .
C51 C50 C55 120.9(8) . .
C49 C50 C55 121.0(8) . .
C52 C51 C50 121.4(9) . .
C51 C52 C53 120.9(9) . .
C52 C53 C54 120.2(9) . .
C53 C54 C49 118.5(8) . .
C53 C54 C58 120.1(8) . .
C49 C54 C58 121.4(7) . .
C56 C55 C50 111.7(9) . .
C56 C55 C57 110.6(9) . .
C50 C55 C57 111.3(8) . .
C54 C58 C59 111.8(8) . .
C54 C58 C60 114.1(8) . .
C59 C58 C60 108.2(10) . .
F8 C61 F9 109.7(12) . .
F8 C61 F7 109.8(10) . .
F9 C61 F7 107.4(10) . .
F8 C61 S3 111.1(9) . .
F9 C61 S3 109.2(9) . .
F7 C61 S3 109.6(10) . .
C63 C62 C67 120.3(8) . .
C63 C62 N6 119.5(9) . .
C67 C62 N6 120.2(8) . .
C64 C63 C62 119.1(9) . .
C64 C63 C68 119.4(9) . .
C62 C63 C68 121.6(8) . .
C65 C64 C63 120.6(9) . .
C64 C65 C66 119.1(9) . .
C67 C66 C65 122.4(11) . .
C66 C67 C62 118.6(9) . .
C66 C67 C71 120.2(10) . .
C62 C67 C71 121.1(8) . .
C70 C68 C69 107.7(10) . .
C70 C68 C63 113.1(9) . .
C69 C68 C63 110.9(11) . .
C67 C71 C73 112.2(9) . .
C67 C71 C72 111.0(8) . .
C73 C71 C72 111.1(9) . .
N6 C74 C76 125.4(10) . .
N6 C74 C75 117.5(9) . .
C76 C74 C75 117.0(9) . .
C77 C76 C74 130.3(10) . .
N5 C77 C76 124.2(9) . .
N5 C77 C78 118.9(9) . .
C76 C77 C78 116.8(9) . .
C84 C79 C80 120.5(9) . .
C84 C79 N5 119.7(8) . .
C80 C79 N5 119.8(8) . .
C81 C80 C79 118.6(8) . .
C81 C80 C85 119.3(9) . .
C79 C80 C85 122.0(9) . .
C82 C81 C80 120.9(9) . .
C81 C82 C83 119.4(10) . .
C82 C83 C84 121.7(10) . .
C79 C84 C83 118.9(9) . .
C79 C84 C88 120.2(10) . .
C83 C84 C88 120.8(9) . .
C87 C85 C86 109.8(13) . .
C87 C85 C80 111.4(10) . .
C86 C85 C80 108.2(11) . .
C90 C88 C84 113.9(12) . .
C90 C88 C89 108.4(11) . .
C84 C88 C89 109.4(12) . .
F11 C91 F12 108.8(9) . .
F11 C91 F10 108.3(9) . .
F12 C91 F10 108.5(8) . .
F11 C91 S4 110.9(7) . .
F12 C91 S4 110.8(8) . .
F10 C91 S4 109.6(7) . .
C93 C92 C97 122.2(9) . .
C93 C92 N8 117.4(9) . .
C97 C92 N8 120.3(8) . .
C92 C93 C94 118.6(10) . .
C92 C93 C98 122.2(8) . .
C94 C93 C98 119.1(9) . .
C95 C94 C93 120.8(10) . .
C94 C95 C96 119.2(10) . .
C95 C96 C97 122.3(11) . .
C96 C97 C92 116.7(9) . .
C96 C97 C101 120.8(9) . .
C92 C97 C101 122.5(9) . .
C100 C98 C93 113.8(9) . .
C100 C98 C99 108.7(9) . .
C93 C98 C99 112.4(8) . .
C103 C101 C97 110.4(8) . .
C103 C101 C102 110.2(9) . .
C97 C101 C102 113.4(8) . .
N8 C104 C106 126.2(8) . .
N8 C104 C105 116.6(8) . .
C106 C104 C105 117.2(8) . .
C104 C106 C107 130.1(9) . .
N7 C107 C106 122.9(8) . .
N7 C107 C108 120.2(8) . .
C106 C107 C108 116.9(8) . .
C110 C109 C114 120.9(8) . .
C110 C109 N7 121.7(7) . .
C114 C109 N7 117.4(8) . .
C111 C110 C109 119.5(8) . .
C111 C110 C115 118.9(9) . .
C109 C110 C115 121.6(8) . .
C110 C111 C112 120.4(9) . .
C113 C112 C111 120.3(9) . .
C112 C113 C114 121.8(9) . .
C113 C114 C109 117.0(9) . .
C113 C114 C118 121.4(8) . .
C109 C114 C118 121.6(8) . .
C117 C115 C116 111.5(9) . .
C117 C115 C110 111.9(9) . .
C116 C115 C110 110.7(8) . .
C114 C118 C119 110.6(8) . .
C114 C118 C120 112.8(7) . .
C119 C118 C120 111.0(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 N1 2.259(6) .
Pb1 N2 2.290(7) .
Pb1 O1 2.595(6) .
Pb1 O11 2.638(6) .
Pb2 N4 2.265(6) .
Pb2 N3 2.273(8) .
Pb2 O4 2.589(6) .
Pb2 O2 2.612(6) .
Pb3 N5 2.264(7) .
Pb3 N6 2.289(8) .
Pb3 O5 2.583(6) .
Pb3 O7 2.613(6) .
Pb4 N8 2.276(7) .
Pb4 N7 2.287(7) .
Pb4 O10 2.574(6) 1_565
Pb4 O8 2.630(6) .
S1 O3 1.438(6) .
S1 O1 1.450(7) .
S1 O2 1.455(6) .
S1 C1 1.819(11) .
S2 O6 1.430(7) .
S2 O4 1.452(6) .
S2 O5 1.453(6) .
S2 C31 1.799(11) .
S3 O9 1.432(7) .
S3 O8 1.451(6) .
S3 O7 1.463(7) .
S3 C61 1.836(14) .
S4 O12 1.442(7) .
S4 O11 1.454(6) .
S4 O10 1.464(6) .
S4 C91 1.839(11) .
F1 C1 1.337(11) .
F2 C1 1.331(12) .
F3 C1 1.320(12) .
F4 C31 1.328(12) .
F5 C31 1.351(12) .
F6 C31 1.323(14) .
F7 C61 1.342(12) .
F8 C61 1.318(15) .
F9 C61 1.338(14) .
F10 C91 1.334(10) .
F11 C91 1.312(11) .
F12 C91 1.320(12) .
O10 Pb4 2.574(6) 1_545
N1 C17 1.340(10) .
N1 C19 1.441(10) .
N2 C14 1.342(11) .
N2 C2 1.448(11) .
N3 C44 1.334(11) .
N3 C32 1.444(10) .
N4 C47 1.341(11) .
N4 C49 1.441(10) .
N5 C77 1.341(12) .
N5 C79 1.442(11) .
N6 C74 1.353(11) .
N6 C62 1.419(11) .
N7 C107 1.338(10) .
N7 C109 1.439(10) .
N8 C104 1.349(11) .
N8 C92 1.426(11) .
C2 C3 1.407(12) .
C2 C7 1.414(12) .
C3 C4 1.404(14) .
C3 C8 1.518(13) .
C4 C5 1.377(14) .
C5 C6 1.391(14) .
C6 C7 1.383(13) .
C7 C11 1.513(13) .
C8 C9 1.495(16) .
C8 C10 1.529(15) .
C11 C12 1.527(13) .
C11 C13 1.536(12) .
C14 C16 1.404(13) .
C14 C15 1.511(12) .
C16 C17 1.374(12) .
C17 C18 1.513(12) .
C19 C20 1.404(13) .
C19 C24 1.409(11) .
C20 C21 1.373(12) .
C20 C25 1.525(12) .
C21 C22 1.406(14) .
C22 C23 1.374(15) .
C23 C24 1.388(13) .
C24 C28 1.510(13) .
C25 C27 1.521(13) .
C25 C26 1.527(15) .
C28 C29 1.512(14) .
C28 C30 1.546(13) .
C32 C37 1.414(13) .
C32 C33 1.414(12) .
C33 C34 1.390(11) .
C33 C38 1.508(12) .
C34 C35 1.363(15) .
C35 C36 1.389(15) .
C36 C37 1.404(13) .
C37 C41 1.519(15) .
C38 C39 1.510(14) .
C38 C40 1.537(13) .
C41 C42 1.496(18) .
C41 C43 1.53(2) .
C44 C46 1.384(11) .
C44 C45 1.529(13) .
C46 C47 1.402(12) .
C47 C48 1.516(11) .
C49 C54 1.410(12) .
C49 C50 1.422(12) .
C50 C51 1.385(13) .
C50 C55 1.523(14) .
C51 C52 1.376(14) .
C52 C53 1.388(14) .
C53 C54 1.403(11) .
C54 C58 1.499(12) .
C55 C56 1.521(15) .
C55 C57 1.526(13) .
C58 C59 1.504(14) .
C58 C60 1.517(13) .
C62 C63 1.414(12) .
C62 C67 1.417(14) .
C63 C64 1.396(13) .
C63 C68 1.528(14) .
C64 C65 1.394(15) .
C65 C66 1.399(14) .
C66 C67 1.364(14) .
C67 C71 1.521(13) .
C68 C70 1.498(14) .
C68 C69 1.507(17) .
C71 C73 1.527(14) .
C71 C72 1.554(15) .
C74 C76 1.397(14) .
C74 C75 1.505(14) .
C76 C77 1.389(15) .
C77 C78 1.499(13) .
C79 C84 1.380(13) .
C79 C80 1.411(12) .
C80 C81 1.390(13) .
C80 C85 1.544(14) .
C81 C82 1.375(13) .
C82 C83 1.375(14) .
C83 C84 1.384(14) .
C84 C88 1.513(15) .
C85 C87 1.494(16) .
C85 C86 1.53(2) .
C88 C90 1.485(18) .
C88 C89 1.56(2) .
C92 C93 1.392(12) .
C92 C97 1.403(13) .
C93 C94 1.399(13) .
C93 C98 1.534(14) .
C94 C95 1.383(15) .
C95 C96 1.387(15) .
C96 C97 1.402(14) .
C97 C101 1.511(13) .
C98 C100 1.518(13) .
C98 C99 1.536(14) .
C101 C103 1.509(13) .
C101 C102 1.527(13) .
C104 C106 1.363(13) .
C104 C105 1.541(12) .
C106 C107 1.407(12) .
C107 C108 1.504(13) .
C109 C110 1.392(12) .
C109 C114 1.430(12) .
C110 C111 1.382(12) .
C110 C115 1.536(13) .
C111 C112 1.386(13) .
C112 C113 1.374(13) .
C113 C114 1.393(12) .
C114 C118 1.518(12) .
C115 C117 1.527(14) .
C115 C116 1.535(15) .
C118 C119 1.525(13) .
C118 C120 1.540(12) .
