# Supplementary Information (SI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_jq112_sq
_database_code_depnum_ccdc_archive 'CCDC 2354888'
loop_
_audit_author_name
_audit_author_address
'Joshua Queen'
;University of California
United States of America
;
_audit_update_record             
;
2026-03-12 deposited with the CCDC.	2026-03-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C72 H98 Pb2 1-, C12 H24 O6 K 1+, 1.25(C4H10O)'
_chemical_formula_sum            'C89 H134.50 K O7.25 Pb2'
_chemical_formula_weight         1773.94

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
K K 0.3868 1.0657 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -4.0753 8.5060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.9819(4)
_cell_length_b                   16.1583(3)
_cell_length_c                   22.8325(5)
_cell_angle_alpha                75.3410(10)
_cell_angle_beta                 70.5950(10)
_cell_angle_gamma                65.8440(10)
_cell_volume                     5027.2(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    90(2)
_cell_measurement_reflns_used    9796
_cell_measurement_theta_min      3.03
_cell_measurement_theta_max      68.30

_exptl_crystal_description       Parallelepiped
_exptl_crystal_colour            orange
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.172
_exptl_crystal_F_000             1819
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.255
_exptl_crystal_size_mid          0.112
_exptl_crystal_size_min          0.096
_exptl_absorpt_coefficient_mu    7.133
_shelx_estimated_absorpt_T_min   0.263
_shelx_estimated_absorpt_T_max   0.548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.161
_exptl_absorpt_correction_T_max  0.297
_exptl_absorpt_process_details   'SADABS 2014/5'
_exptl_absorpt_special_details   
;
Reflections not merged
65515 Corrected reflections written to file cu_JQ112_0m.hkl
Estimated minimum and maximum transmission:  0.1611  0.2973
The ratio of these values is more reliable than their absolute values!
Additional spherical absorption correction applied with mu*r =  1.0900
Lambda/2 correction factor = 0.00150
;
_diffrn_ambient_temperature      90(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            26313
_diffrn_reflns_av_unetI/netI     0.0264
_diffrn_reflns_av_R_equivalents  0.0163
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         3.025
_diffrn_reflns_theta_max         68.334
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.946
_diffrn_measured_fraction_theta_full 0.951
_diffrn_reflns_Laue_measured_fraction_max 0.946
_diffrn_reflns_Laue_measured_fraction_full 0.951
_diffrn_reflns_point_group_measured_fraction_max 0.946
_diffrn_reflns_point_group_measured_fraction_full 0.951
_reflns_number_total             17458
_reflns_number_gt                15033
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;
# start Validation Reply Form
_vrf_PLAT029_jq112_sq            
;
PROBLEM: _diffrn_measured_fraction_theta_full value Low .      0.951 Why?  
RESPONSE: The low completeness is a result of the data collection 
strategy used
;
_vrf_PLAT971_jq112_sq            
;
PROBLEM: Check Calcd Resid. Dens.  0.78Ang From Pb1             2.69 eA-3  
RESPONSE: Large residuals near heavy atoms are common. 
These were not improved with alternative absorption correction methods.
;
_vrf_PLAT973_jq112_sq            
;
PROBLEM: Check Calcd Positive Resid. Density on       Pb1       1.97 eA-3  
RESPONSE: Large residuals near heavy atoms are common. 
These were not improved with alternative absorption correction methods.
;
_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          SQUEEZE
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1439P)²+8.7516P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         17458
_refine_ls_number_parameters     952
_refine_ls_number_restraints     518
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0654
_refine_ls_wR_factor_ref         0.2089
_refine_ls_wR_factor_gt          0.1985
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_restrained_S_all      1.081
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
Pb1 Pb 0.56770(2) 0.54294(2) 0.95832(2) 0.05764(12) Uani 1 1 d . . . . .
C1 C 0.6587(5) 0.4226(4) 0.8985(3) 0.0478(13) Uani 1 1 d . . . . .
C2 C 0.6360(5) 0.4233(4) 0.8442(3) 0.0505(14) Uani 1 1 d . . . . .
C3 C 0.6922(5) 0.3524(4) 0.8068(3) 0.0520(14) Uani 1 1 d . . . . .
H3 H 0.6753 0.3523 0.7706 0.062 Uiso 1 1 calc R U . . .
C4 C 0.7705(5) 0.2838(5) 0.8217(3) 0.0549(15) Uani 1 1 d . . . . .
H4 H 0.8073 0.2361 0.7964 0.066 Uiso 1 1 calc R U . . .
C5 C 0.7964(5) 0.2844(5) 0.8745(3) 0.0546(14) Uani 1 1 d . . . . .
H5 H 0.8510 0.2373 0.8850 0.066 Uiso 1 1 calc R U . . .
C6 C 0.7419(5) 0.3542(4) 0.9115(3) 0.0508(14) Uani 1 1 d . . . . .
C7 C 0.5577(5) 0.5003(5) 0.8197(3) 0.0548(15) Uani 1 1 d . . . . .
C8 C 0.4714(5) 0.4901(5) 0.8258(3) 0.0583(16) Uani 1 1 d . . . . .
C9 C 0.4073(6) 0.5577(6) 0.7939(4) 0.072(2) Uani 1 1 d . . . . .
H9 H 0.3493 0.5510 0.7976 0.086 Uiso 1 1 calc R U . . .
C10 C 0.4249(7) 0.6332(7) 0.7574(4) 0.087(3) Uani 1 1 d . U . . .
C11 C 0.5073(7) 0.6450(5) 0.7543(4) 0.075(2) Uani 1 1 d . . . . .
H11 H 0.5191 0.6983 0.7304 0.090 Uiso 1 1 calc R U . . .
C12 C 0.5740(6) 0.5795(5) 0.7857(3) 0.0617(17) Uani 1 1 d . . . . .
C13 C 0.4471(5) 0.4084(5) 0.8661(3) 0.0610(16) Uani 1 1 d . . . . .
H13 H 0.4915 0.3783 0.8938 0.073 Uiso 1 1 calc R U . . .
C14 C 0.4628(6) 0.3370(6) 0.8260(4) 0.0713(19) Uani 1 1 d . . . . .
H14A H 0.4189 0.3638 0.7991 0.107 Uiso 1 1 calc R U . . .
H14B H 0.4514 0.2832 0.8535 0.107 Uiso 1 1 calc R U . . .
H14C H 0.5283 0.3186 0.7998 0.107 Uiso 1 1 calc R U . . .
C15 C 0.3460(6) 0.4374(7) 0.9088(4) 0.074(2) Uani 1 1 d . . . . .
H15A H 0.3385 0.4811 0.9348 0.112 Uiso 1 1 calc R U . . .
H15B H 0.3343 0.3835 0.9358 0.112 Uiso 1 1 calc R U . . .
H15C H 0.3004 0.4664 0.8830 0.112 Uiso 1 1 calc R U . . .
C16 C 0.3568(8) 0.7006(9) 0.7186(4) 0.116(4) Uani 1 1 d D U . . .
H16 H 0.3305 0.6558 0.7157 0.139 Uiso 1 1 calc R U . . .
C17 C 0.4042(8) 0.7148(9) 0.6496(4) 0.100(3) Uani 1 1 d D U . . .
H17A H 0.3579 0.7307 0.6254 0.150 Uiso 1 1 calc R U . . .
H17B H 0.4568 0.6583 0.6376 0.150 Uiso 1 1 calc R U . . .
H17C H 0.4285 0.7645 0.6408 0.150 Uiso 1 1 calc R U . . .
C18 C 0.2637(9) 0.7654(11) 0.7521(7) 0.157(5) Uani 1 1 d D U . . .
H18A H 0.2736 0.8178 0.7590 0.235 Uiso 1 1 calc R U . . .
H18B H 0.2386 0.7336 0.7925 0.235 Uiso 1 1 calc R U . . .
H18C H 0.2183 0.7870 0.7265 0.235 Uiso 1 1 calc R U . . .
C19 C 0.6632(7) 0.5967(6) 0.7794(4) 0.073(2) Uani 1 1 d . . . . .
H19 H 0.6887 0.5583 0.8158 0.088 Uiso 1 1 calc R U . . .
C20 C 0.7397(8) 0.5621(10) 0.7201(5) 0.103(3) Uani 1 1 d . . . . .
H20A H 0.7928 0.5822 0.7132 0.155 Uiso 1 1 calc R U . . .
H20B H 0.7125 0.5870 0.6839 0.155 Uiso 1 1 calc R U . . .
H20C H 0.7626 0.4951 0.7254 0.155 Uiso 1 1 calc R U . . .
C21 C 0.6464(10) 0.6933(7) 0.7833(6) 0.109(4) Uani 1 1 d . . . . .
H21A H 0.6064 0.7087 0.8249 0.163 Uiso 1 1 calc R U . . .
H21B H 0.6145 0.7344 0.7513 0.163 Uiso 1 1 calc R U . . .
H21C H 0.7074 0.7000 0.7762 0.163 Uiso 1 1 calc R U . . .
C22 C 0.7814(5) 0.3574(5) 0.9612(3) 0.0594(16) Uani 1 1 d . . . . .
C23 C 0.8370(6) 0.4096(6) 0.9494(4) 0.070(2) Uani 1 1 d . . . . .
C24 C 0.8851(6) 0.4027(6) 0.9936(4) 0.073(2) Uani 1 1 d . . . . .
H24 H 0.9231 0.4389 0.9847 0.087 Uiso 1 1 calc R U . . .
C25 C 0.8778(6) 0.3444(6) 1.0493(4) 0.0692(19) Uani 1 1 d . . . . .
C26 C 0.8202(6) 0.2955(6) 1.0619(4) 0.0693(19) Uani 1 1 d . . . . .
H26 H 0.8131 0.2569 1.1009 0.083 Uiso 1 1 calc R U . . .
C27 C 0.7720(6) 0.2998(5) 1.0207(4) 0.0662(18) Uani 1 1 d . . . . .
C28 C 0.8518(7) 0.4723(7) 0.8865(4) 0.087(2) Uani 1 1 d D U . . .
H28 H 0.8071 0.4751 0.8634 0.104 Uiso 1 1 calc R U . . .
C29 C 0.8299(8) 0.5680(6) 0.8981(5) 0.094(3) Uani 1 1 d D U . . .
H29A H 0.7639 0.5925 0.9226 0.141 Uiso 1 1 calc R U . . .
H29B H 0.8390 0.6074 0.8579 0.141 Uiso 1 1 calc R U . . .
H29C H 0.8725 0.5661 0.9213 0.141 Uiso 1 1 calc R U . . .
C30 C 0.9538(9) 0.4328(9) 0.8465(5) 0.107(3) Uani 1 1 d . U . . .
H30A H 0.9985 0.4255 0.8698 0.161 Uiso 1 1 calc R U . . .
H30B H 0.9634 0.4746 0.8075 0.161 Uiso 1 1 calc R U . . .
H30C H 0.9646 0.3731 0.8365 0.161 Uiso 1 1 calc R U . . .
C31 C 0.9358(6) 0.3336(6) 1.0946(4) 0.082(2) Uani 1 1 d D . . . .
H31 H 0.9191 0.2892 1.1316 0.099 Uiso 1 1 calc R U . . .
C32 C 0.9092(7) 0.4219(6) 1.1192(5) 0.086(3) Uani 1 1 d D . . . .
H32A H 0.9218 0.4685 1.0841 0.129 Uiso 1 1 calc R U . . .
H32B H 0.9470 0.4115 1.1483 0.129 Uiso 1 1 calc R U . . .
H32C H 0.8416 0.4429 1.1411 0.129 Uiso 1 1 calc R U . . .
C33 C 1.0423(6) 0.2928(9) 1.0669(6) 0.110(4) Uani 1 1 d D . . . .
H33A H 1.0604 0.2277 1.0647 0.165 Uiso 1 1 calc R U . . .
H33B H 1.0757 0.2995 1.0934 0.165 Uiso 1 1 calc R U . . .
H33C H 1.0594 0.3248 1.0246 0.165 Uiso 1 1 calc R U . . .
C34 C 0.7105(6) 0.2417(6) 1.0361(4) 0.0698(19) Uani 1 1 d . . . . .
H34 H 0.6709 0.2639 1.0055 0.084 Uiso 1 1 calc R U . . .
C35 C 0.6437(7) 0.2510(7) 1.1031(4) 0.084(2) Uani 1 1 d . . . . .
H35A H 0.6817 0.2307 1.1335 0.127 Uiso 1 1 calc R U . . .
H35B H 0.6050 0.2131 1.1125 0.127 Uiso 1 1 calc R U . . .
H35C H 0.6021 0.3152 1.1057 0.127 Uiso 1 1 calc R U . . .
C36 C 0.7737(7) 0.1402(6) 1.0306(5) 0.081(2) Uani 1 1 d . . . . .
H36A H 0.8222 0.1360 0.9905 0.122 Uiso 1 1 calc R U . . .
H36B H 0.7344 0.1058 1.0327 0.122 Uiso 1 1 calc R U . . .
H36C H 0.8045 0.1146 1.0651 0.122 Uiso 1 1 calc R U . . .
Pb2 Pb 1.03096(2) 0.90412(2) 0.52971(2) 0.06046(12) Uani 1 1 d . . . . .
C37 C 0.8767(5) 0.9062(4) 0.5806(3) 0.0583(17) Uani 1 1 d . . . . .
C38 C 0.8266(5) 0.8765(4) 0.5549(3) 0.0589(16) Uani 1 1 d . . . . .
C39 C 0.7359(6) 0.8776(5) 0.5860(4) 0.070(2) Uani 1 1 d . . . . .
H39 H 0.7041 0.8578 0.5670 0.084 Uiso 1 1 calc R U . . .
C40 C 0.6902(6) 0.9068(5) 0.6443(4) 0.073(2) Uani 1 1 d . U . . .
H40 H 0.6265 0.9107 0.6642 0.088 Uiso 1 1 calc R U . . .
C41 C 0.7408(6) 0.9304(5) 0.6728(4) 0.076(2) Uani 1 1 d . U . . .
H41 H 0.7122 0.9473 0.7138 0.091 Uiso 1 1 calc R U . . .
C42 C 0.8331(6) 0.9294(4) 0.6421(3) 0.0626(18) Uani 1 1 d . . . . .
C43 C 0.8711(5) 0.8352(5) 0.4940(3) 0.0602(16) Uani 1 1 d . . . . .
C44 C 0.8500(6) 0.8861(5) 0.4400(4) 0.071(2) Uani 1 1 d . . . . .
C45 C 0.8808(9) 0.8429(7) 0.3875(5) 0.096(3) Uani 1 1 d . . . . .
H45 H 0.8641 0.8779 0.3501 0.115 Uiso 1 1 calc R U . . .
C46 C 0.9361(8) 0.7490(7) 0.3872(5) 0.090(3) Uani 1 1 d . . . . .
C47 C 0.9586(6) 0.7030(6) 0.4407(4) 0.071(2) Uani 1 1 d . . . . .
H47 H 0.9971 0.6399 0.4416 0.086 Uiso 1 1 calc R U . . .
C48 C 0.9286(6) 0.7426(5) 0.4954(4) 0.068(2) Uani 1 1 d . . . . .
C49 C 0.7903(6) 0.9888(5) 0.4363(4) 0.080(2) Uani 1 1 d D . . . .
H49 H 0.7870 1.0108 0.4745 0.096 Uiso 1 1 calc R U . . .
C50 C 0.6898(7) 1.0046(8) 0.4363(6) 0.110(4) Uani 1 1 d D . . . .
H50A H 0.6912 0.9852 0.3985 0.165 Uiso 1 1 calc R U . . .
H50B H 0.6512 1.0698 0.4368 0.165 Uiso 1 1 calc R U . . .
H50C H 0.6621 0.9690 0.4735 0.165 Uiso 1 1 calc R U . . .
C51 C 0.8333(7) 1.0449(6) 0.3789(4) 0.081(2) Uani 1 1 d D . . . .
H51A H 0.9001 1.0298 0.3767 0.122 Uiso 1 1 calc R U . . .
H51B H 0.7986 1.1102 0.3820 0.122 Uiso 1 1 calc R U . . .
H51C H 0.8288 1.0307 0.3410 0.122 Uiso 1 1 calc R U . . .
C52 C 0.9624(10) 0.7067(11) 0.3277(8) 0.154(4) Uani 1 1 d D U . . .
H52 H 0.9484 0.7541 0.2910 0.184 Uiso 1 1 calc R U . . .
C53 C 0.9072(13) 0.6408(12) 0.3438(8) 0.165(5) Uani 1 1 d D U . . .
H53A H 0.9516 0.5801 0.3333 0.247 Uiso 1 1 calc R U . . .
H53B H 0.8597 0.6644 0.3197 0.247 Uiso 1 1 calc R U . . .
H53C H 0.8754 0.6362 0.3887 0.247 Uiso 1 1 calc R U . . .
C54 C 1.0623(9) 0.6391(10) 0.3135(7) 0.134(4) Uani 1 1 d D U . . .
H54A H 1.1060 0.6673 0.3138 0.202 Uiso 1 1 calc R U . . .
H54B H 1.0787 0.6210 0.2721 0.202 Uiso 1 1 calc R U . . .
H54C H 1.0675 0.5849 0.3454 0.202 Uiso 1 1 calc R U . . .
C55 C 0.9593(7) 0.6860(6) 0.5534(5) 0.105(3) Uani 1 1 d D U . . .
H55 H 0.9506 0.7312 0.5798 0.126 Uiso 1 1 calc R U . . .
C56 C 0.9005(10) 0.6302(9) 0.5936(7) 0.143(5) Uani 1 1 d D U . . .
H56A H 0.8351 0.6710 0.6093 0.215 Uiso 1 1 calc R U . . .
H56B H 0.9270 0.5944 0.6290 0.215 Uiso 1 1 calc R U . . .
H56C H 0.9007 0.5887 0.5687 0.215 Uiso 1 1 calc R U . . .
C57 C 1.0620(8) 0.6245(7) 0.5433(5) 0.109(3) Uani 1 1 d D U . . .
H57A H 1.0734 0.5740 0.5218 0.164 Uiso 1 1 calc R U . . .
H57B H 1.0771 0.5998 0.5839 0.164 Uiso 1 1 calc R U . . .
H57C H 1.1022 0.6596 0.5176 0.164 Uiso 1 1 calc R U . . .
C58 C 0.8852(6) 0.9469(5) 0.6796(3) 0.066(2) Uani 1 1 d . . . . .
C59 C 0.8680(6) 1.0365(5) 0.6887(3) 0.068(2) Uani 1 1 d . . . . .
C60 C 0.9078(6) 1.0485(6) 0.7302(4) 0.075(2) Uani 1 1 d . . . . .
H60 H 0.8969 1.1086 0.7358 0.090 Uiso 1 1 calc R U . . .
C61 C 0.9624(8) 0.9748(7) 0.7631(4) 0.085(2) Uani 1 1 d . U . . .
C62 C 0.9827(7) 0.8881(6) 0.7512(4) 0.078(2) Uani 1 1 d . . . . .
H62 H 1.0241 0.8372 0.7718 0.094 Uiso 1 1 calc R U . . .
C63 C 0.9448(7) 0.8723(5) 0.7102(3) 0.070(2) Uani 1 1 d . . . . .
C64 C 0.8062(7) 1.1195(5) 0.6539(4) 0.072(2) Uani 1 1 d . . . . .
H64 H 0.8005 1.0998 0.6178 0.087 Uiso 1 1 calc R U . . .
C65 C 0.7052(7) 1.1588(6) 0.6974(5) 0.088(3) Uani 1 1 d . . . . .
H65A H 0.6712 1.1170 0.7046 0.132 Uiso 1 1 calc R U . . .
H65B H 0.6704 1.2188 0.6774 0.132 Uiso 1 1 calc R U . . .
H65C H 0.7101 1.1653 0.7375 0.132 Uiso 1 1 calc R U . . .
C66 C 0.8473(8) 1.1966(6) 0.6283(4) 0.080(2) Uani 1 1 d . . . . .
H66A H 0.8514 1.2184 0.6632 0.121 Uiso 1 1 calc R U . . .
H66B H 0.8058 1.2473 0.6051 0.121 Uiso 1 1 calc R U . . .
H66C H 0.9108 1.1732 0.6002 0.121 Uiso 1 1 calc R U . . .
C67 C 0.9988(9) 0.9931(11) 0.8098(5) 0.129(4) Uani 1 1 d D U . . .
H67 H 1.0027 1.0555 0.7945 0.154 Uiso 1 1 calc R U . . .
C68 C 0.9312(10) 0.9988(12) 0.8741(5) 0.135(4) Uani 1 1 d D U . . .
H68A H 0.9183 0.9416 0.8894 0.202 Uiso 1 1 calc R U . . .
H68B H 0.8716 1.0501 0.8720 0.202 Uiso 1 1 calc R U . . .
H68C H 0.9595 1.0083 0.9027 0.202 Uiso 1 1 calc R U . . .
C69 C 1.0970(11) 0.9300(13) 0.8129(8) 0.167(5) Uani 1 1 d D U . . .
H69A H 1.1224 0.8875 0.7821 0.250 Uiso 1 1 calc R U . . .
H69B H 1.0952 0.8953 0.8550 0.250 Uiso 1 1 calc R U . . .
H69C H 1.1378 0.9658 0.8038 0.250 Uiso 1 1 calc R U . . .
C70 C 0.9678(7) 0.7754(5) 0.7007(4) 0.080(3) Uani 1 1 d . . . . .
H70 H 0.9554 0.7788 0.6598 0.096 Uiso 1 1 calc R U . . .
C71 C 0.9011(8) 0.7323(6) 0.7520(5) 0.093(3) Uani 1 1 d . . . . .
H71A H 0.9129 0.7259 0.7927 0.140 Uiso 1 1 calc R U . . .
H71B H 0.9128 0.6718 0.7428 0.140 Uiso 1 1 calc R U . . .
H71C H 0.8350 0.7717 0.7532 0.140 Uiso 1 1 calc R U . . .
C72 C 1.0707(8) 0.7134(6) 0.6968(4) 0.096(3) Uani 1 1 d . . . . .
H72A H 1.1126 0.7408 0.6633 0.144 Uiso 1 1 calc R U . . .
H72B H 1.0811 0.6534 0.6877 0.144 Uiso 1 1 calc R U . . .
H72C H 1.0847 0.7063 0.7368 0.144 Uiso 1 1 calc R U . . .
O7 O 0.5341(6) 1.1581(5) 0.9641(3) 0.108(3) Uani 1 1 d . U . . .
O8 O 0.6616(4) 1.0097(4) 0.8990(2) 0.0735(14) Uani 1 1 d . U . . .
O9 O 0.6056(5) 0.8616(4) 0.9262(3) 0.091(2) Uani 1 1 d . U . . .
C85 C 0.5014(9) 1.2137(7) 1.0094(5) 0.106(4) Uani 1 1 d . . . . .
H85A H 0.4967 1.2766 0.9887 0.127 Uiso 1 1 calc R U . B .
H85B H 0.5483 1.1923 1.0344 0.127 Uiso 1 1 calc R U . . .
C86 C 0.6231(6) 1.1579(5) 0.9232(4) 0.071(2) Uani 1 1 d . U . . .
H86A H 0.6711 1.1350 0.9476 0.085 Uiso 1 1 calc R U . . .
H86B H 0.6179 1.2213 0.9034 0.085 Uiso 1 1 calc R U . . .
C87 C 0.6540(9) 1.1001(7) 0.8744(5) 0.100(3) Uani 1 1 d . U . . .
H87A H 0.6081 1.1258 0.8484 0.120 Uiso 1 1 calc R U . . .
H87B H 0.7165 1.1008 0.8470 0.120 Uiso 1 1 calc R U . . .
C88 C 0.6961(10) 0.9483(7) 0.8578(5) 0.123(5) Uani 1 1 d D . . . .
H88A H 0.7635 0.9405 0.8370 0.147 Uiso 1 1 calc R U . . .
H88B H 0.6610 0.9744 0.8250 0.147 Uiso 1 1 calc R U . . .
C89 C 0.6904(10) 0.8592(7) 0.8844(5) 0.115(4) Uani 1 1 d D . . . .
H89A H 0.7013 0.8260 0.8500 0.138 Uiso 1 1 calc R U . . .
H89B H 0.7418 0.8242 0.9058 0.138 Uiso 1 1 calc R U . . .
C90 C 0.5905(11) 0.7835(8) 0.9485(7) 0.131(5) Uani 1 1 d . U . . .
H90A H 0.6397 0.7430 0.9707 0.158 Uiso 1 1 calc R U . . .
H90B H 0.6008 0.7541 0.9123 0.158 Uiso 1 1 calc R U . . .
K1 K 0.5236(2) 0.6052(2) 0.51255(16) 0.0652(7) Uani 0.5 1 d . . P A -1
O1 O 0.5487(7) 0.4570(8) 0.6101(5) 0.079(3) Uani 0.5 1 d D U P A -1
O2 O 0.3695(7) 0.5475(7) 0.5884(5) 0.073(2) Uani 0.5 1 d D U P A -1
O3 O 0.3396(6) 0.7021(6) 0.4970(4) 0.058(2) Uani 0.5 1 d D U P A -1
O4 O 0.4643(7) 0.8005(9) 0.4655(6) 0.084(3) Uani 0.5 1 d D U P A -1
O5 O 0.6502(8) 0.7074(8) 0.4765(6) 0.089(3) Uani 0.5 1 d D U P A -1
O6 O 0.6650(8) 0.5593(6) 0.5761(5) 0.071(2) Uani 0.5 1 d D U P A -1
C73 C 0.4751(11) 0.4251(13) 0.6409(8) 0.093(4) Uani 0.5 1 d D U P A -1
H73A H 0.4398 0.4517 0.6805 0.112 Uiso 0.5 1 calc R U P A -1
H73B H 0.5007 0.3576 0.6513 0.112 Uiso 0.5 1 calc R U P A -1
C74 C 0.4124(12) 0.4505(8) 0.6013(8) 0.085(4) Uani 0.5 1 d D U P A -1
H74A H 0.4486 0.4250 0.5614 0.102 Uiso 0.5 1 calc R U P A -1
H74B H 0.3622 0.4239 0.6221 0.102 Uiso 0.5 1 calc R U P A -1
C75 C 0.3113(8) 0.5663(8) 0.5508(5) 0.055(2) Uani 0.5 1 d D U P A -1
H75A H 0.2598 0.5415 0.5721 0.066 Uiso 0.5 1 calc R U P A -1
H75B H 0.3474 0.5402 0.5111 0.066 Uiso 0.5 1 calc R U P A -1
C76 C 0.2719(9) 0.6696(8) 0.5390(7) 0.079(4) Uani 0.5 1 d D U P A -1
H76A H 0.2159 0.6901 0.5221 0.095 Uiso 0.5 1 calc R U P A -1
H76B H 0.2512 0.6945 0.5789 0.095 Uiso 0.5 1 calc R U P A -1
C77 C 0.3135(10) 0.7973(8) 0.4848(8) 0.082(4) Uani 0.5 1 d D U P A -1
H77A H 0.2982 0.8219 0.5242 0.098 Uiso 0.5 1 calc R U P A -1
H77B H 0.2560 0.8241 0.4690 0.098 Uiso 0.5 1 calc R U P A -1
C78 C 0.3903(8) 0.8234(9) 0.4385(6) 0.064(3) Uani 0.5 1 d D U P A -1
H78A H 0.4129 0.7911 0.4016 0.076 Uiso 0.5 1 calc R U P A -1
H78B H 0.3669 0.8901 0.4243 0.076 Uiso 0.5 1 calc R U P A -1
C79 C 0.5420(8) 0.8160(11) 0.4251(7) 0.077(4) Uani 0.5 1 d D U P A -1
H79A H 0.5226 0.8794 0.4033 0.093 Uiso 0.5 1 calc R U P A -1
H79B H 0.5702 0.7740 0.3931 0.093 Uiso 0.5 1 calc R U P A -1
C80 C 0.6139(10) 0.8028(9) 0.4562(9) 0.085(4) Uani 0.5 1 d D U P A -1
H80A H 0.6650 0.8237 0.4268 0.102 Uiso 0.5 1 calc R U P A -1
H80B H 0.5852 0.8375 0.4924 0.102 Uiso 0.5 1 calc R U P A -1
C81 C 0.7032(13) 0.6846(9) 0.5178(8) 0.089(4) Uani 0.5 1 d D U P A -1
H81A H 0.6636 0.7137 0.5560 0.107 Uiso 0.5 1 calc R U P A -1
H81B H 0.7565 0.7074 0.4989 0.107 Uiso 0.5 1 calc R U P A -1
C82 C 0.7411(10) 0.5830(9) 0.5348(7) 0.091(4) Uani 0.5 1 d D U P A -1
H82A H 0.7657 0.5523 0.4969 0.110 Uiso 0.5 1 calc R U P A -1
H82B H 0.7931 0.5646 0.5551 0.110 Uiso 0.5 1 calc R U P A -1
C83 C 0.6933(10) 0.4671(9) 0.6035(9) 0.090(4) Uani 0.5 1 d D U P A -1
H83A H 0.7381 0.4557 0.6284 0.108 Uiso 0.5 1 calc R U P A -1
H83B H 0.7260 0.4267 0.5703 0.108 Uiso 0.5 1 calc R U P A -1
C84 C 0.6082(9) 0.4464(9) 0.6446(6) 0.073(3) Uani 0.5 1 d D U P A -1
H84A H 0.6280 0.3827 0.6661 0.087 Uiso 0.5 1 calc R U P A -1
H84B H 0.5747 0.4880 0.6770 0.087 Uiso 0.5 1 calc R U P A -1
K2 K 0.5129(5) 0.9919(5) 1.0105(3) 0.0646(15) Uani 0.5 1 d . . P B -1


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pb1 C1 2.340(6) . ?
Pb1 Pb1 2.9351(5) 2_667 ?
C1 C2 1.397(9) . ?
C1 C6 1.405(9) . ?
C2 C3 1.413(9) . ?
C2 C7 1.506(10) . ?
C3 C4 1.367(10) . ?
C3 H3 0.9500 . ?
C4 C5 1.401(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.391(9) . ?
C5 H5 0.9500 . ?
C6 C22 1.489(9) . ?
C7 C12 1.393(10) . ?
C7 C8 1.413(10) . ?
C8 C9 1.396(10) . ?
C8 C13 1.520(10) . ?
C9 C10 1.369(13) . ?
C9 H9 0.9500 . ?
C10 C11 1.382(14) . ?
C10 C16 1.529(13) . ?
C11 C12 1.404(11) . ?
C11 H11 0.9500 . ?
C12 C19 1.516(12) . ?
C13 C15 1.531(10) . ?
C13 C14 1.542(11) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C18 1.507(9) . ?
C16 C17 1.509(8) . ?
C16 H16 1.0000 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C21 1.493(12) . ?
C19 C20 1.538(13) . ?
C19 H19 1.0000 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.384(10) . ?
C22 C27 1.440(10) . ?
C23 C24 1.416(11) . ?
C23 C28 1.543(12) . ?
C24 C25 1.380(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.362(12) . ?
C25 C31 1.541(11) . ?
C26 C27 1.375(11) . ?
C26 H26 0.9500 . ?
C27 C34 1.526(11) . ?
C28 C29 1.513(9) . ?
C28 C30 1.534(15) . ?
C28 H28 1.0000 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.510(8) . ?
C31 C33 1.519(8) . ?
C31 H31 1.0000 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C36 1.546(12) . ?
C34 C35 1.550(12) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
Pb2 C37 2.340(7) . ?
Pb2 Pb2 2.9456(5) 2_776 ?
C37 C38 1.409(11) . ?
C37 C42 1.415(9) . ?
C38 C39 1.380(10) . ?
C38 C43 1.520(10) . ?
C39 C40 1.384(12) . ?
C39 H39 0.9500 . ?
C40 C41 1.397(13) . ?
C40 H40 0.9500 . ?
C41 C42 1.402(11) . ?
C41 H41 0.9500 . ?
C42 C58 1.516(12) . ?
C43 C44 1.359(11) . ?
C43 C48 1.398(10) . ?
C44 C45 1.384(12) . ?
C44 C49 1.535(11) . ?
C45 C46 1.409(14) . ?
C45 H45 0.9500 . ?
C46 C47 1.336(13) . ?
C46 C52 1.531(15) . ?
C47 C48 1.399(11) . ?
C47 H47 0.9500 . ?
C48 C55 1.509(13) . ?
C49 C50 1.521(8) . ?
C49 C51 1.524(8) . ?
C49 H49 1.0000 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
C52 C54 1.503(9) . ?
C52 C53 1.550(9) . ?
C52 H52 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C56 1.497(9) . ?
C55 C57 1.504(9) . ?
C55 H55 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C63 1.388(11) . ?
C58 C59 1.414(10) . ?
C59 C60 1.391(13) . ?
C59 C64 1.517(12) . ?
C60 C61 1.369(14) . ?
C60 H60 0.9500 . ?
C61 C62 1.381(13) . ?
C61 C67 1.509(15) . ?
C62 C63 1.389(13) . ?
C62 H62 0.9500 . ?
C63 C70 1.511(11) . ?
C64 C66 1.539(11) . ?
C64 C65 1.552(12) . ?
C64 H64 1.0000 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C69 1.495(9) . ?
C67 C68 1.505(9) . ?
C67 H67 1.0000 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 C72 1.521(14) . ?
C70 C71 1.536(12) . ?
C70 H70 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
O7 C85 1.369(11) . ?
O7 C86 1.419(10) . ?
O7 K2 2.741(9) . ?
O8 C88 1.362(11) . ?
O8 C87 1.395(11) . ?
O8 K2 2.895(9) . ?
O9 C90 1.323(11) . ?
O9 C89 1.366(12) . ?
O9 K2 2.817(9) . ?
C85 C90 1.454(15) 2_677 ?
C85 K2 3.506(11) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 C87 1.463(13) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 H87A 0.9900 . ?
C87 H87B 0.9900 . ?
C88 C89 1.442(9) . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C89 H89A 0.9900 . ?
C89 H89B 0.9900 . ?
C90 C85 1.454(15) 2_677 ?
C90 H90A 0.9900 . ?
C90 H90B 0.9900 . ?
K1 O3 2.805(9) . ?
K1 O1 2.822(12) . ?
K1 O6 2.834(10) . ?
K1 O2 2.857(12) . ?
K1 O5 2.904(13) . ?
K1 O4 2.919(14) . ?
O1 C84 1.360(10) . ?
O1 C73 1.381(11) . ?
O2 C75 1.364(10) . ?
O2 C74 1.426(10) . ?
O3 C76 1.374(10) . ?
O3 C77 1.397(10) . ?
O4 C79 1.354(11) . ?
O4 C78 1.389(10) . ?
O5 C81 1.358(11) . ?
O5 C80 1.418(11) . ?
O6 C82 1.397(11) . ?
O6 C83 1.407(11) . ?
C73 C74 1.439(11) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 C76 1.509(11) . ?
C75 H75A 0.9900 . ?
C75 H75B 0.9900 . ?
C76 H76A 0.9900 . ?
C76 H76B 0.9900 . ?
C77 C78 1.462(11) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C80 1.461(11) . ?
C79 H79A 0.9900 . ?
C79 H79B 0.9900 . ?
C80 H80A 0.9900 . ?
C80 H80B 0.9900 . ?
C81 C82 1.494(11) . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C82 H82A 0.9900 . ?
C82 H82B 0.9900 . ?
C83 C84 1.485(12) . ?
C83 H83A 0.9900 . ?
C83 H83B 0.9900 . ?
C84 H84A 0.9900 . ?
C84 H84B 0.9900 . ?

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
C1 Pb1 Pb1 95.90(14) . 2_667 ?
C2 C1 C6 118.3(6) . . ?
C2 C1 Pb1 119.5(5) . . ?
C6 C1 Pb1 121.8(4) . . ?
C1 C2 C3 119.9(6) . . ?
C1 C2 C7 123.6(6) . . ?
C3 C2 C7 116.4(6) . . ?
C4 C3 C2 121.0(6) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 119.6(6) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C6 C5 C4 119.9(6) . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 121.0(6) . . ?
C5 C6 C22 116.5(6) . . ?
C1 C6 C22 122.2(6) . . ?
C12 C7 C8 119.7(7) . . ?
C12 C7 C2 119.3(6) . . ?
C8 C7 C2 120.8(6) . . ?
C9 C8 C7 118.4(7) . . ?
C9 C8 C13 119.9(7) . . ?
C7 C8 C13 121.7(6) . . ?
C10 C9 C8 122.5(9) . . ?
C10 C9 H9 118.8 . . ?
C8 C9 H9 118.8 . . ?
C9 C10 C11 118.7(8) . . ?
C9 C10 C16 120.3(11) . . ?
C11 C10 C16 120.9(10) . . ?
C10 C11 C12 121.2(8) . . ?
C10 C11 H11 119.4 . . ?
C12 C11 H11 119.4 . . ?
C7 C12 C11 119.4(7) . . ?
C7 C12 C19 122.5(7) . . ?
C11 C12 C19 118.1(7) . . ?
C8 C13 C15 111.9(7) . . ?
C8 C13 C14 111.5(6) . . ?
C15 C13 C14 111.1(7) . . ?
C8 C13 H13 107.3 . . ?
C15 C13 H13 107.3 . . ?
C14 C13 H13 107.3 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C18 C16 C17 125.1(10) . . ?
C18 C16 C10 118.3(10) . . ?
C17 C16 C10 113.5(8) . . ?
C18 C16 H16 95.9 . . ?
C17 C16 H16 95.9 . . ?
C10 C16 H16 95.9 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C21 C19 C12 114.1(9) . . ?
C21 C19 C20 112.2(9) . . ?
C12 C19 C20 110.6(7) . . ?
C21 C19 H19 106.4 . . ?
C12 C19 H19 106.4 . . ?
C20 C19 H19 106.4 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C27 117.1(7) . . ?
C23 C22 C6 120.8(6) . . ?
C27 C22 C6 121.9(6) . . ?
C22 C23 C24 120.5(8) . . ?
C22 C23 C28 120.3(7) . . ?
C24 C23 C28 119.1(7) . . ?
C25 C24 C23 121.4(7) . . ?
C25 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C26 C25 C24 118.2(7) . . ?
C26 C25 C31 121.5(8) . . ?
C24 C25 C31 120.3(8) . . ?
C25 C26 C27 122.7(8) . . ?
C25 C26 H26 118.6 . . ?
C27 C26 H26 118.6 . . ?
C26 C27 C22 120.1(7) . . ?
C26 C27 C34 120.8(7) . . ?
C22 C27 C34 119.0(7) . . ?
C29 C28 C30 110.9(8) . . ?
C29 C28 C23 110.0(7) . . ?
C30 C28 C23 110.1(9) . . ?
C29 C28 H28 108.6 . . ?
C30 C28 H28 108.6 . . ?
C23 C28 H28 108.6 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C28 C30 H30A 109.5 . . ?
C28 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C28 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C33 111.2(8) . . ?
C32 C31 C25 112.4(7) . . ?
C33 C31 C25 113.0(7) . . ?
C32 C31 H31 106.6 . . ?
C33 C31 H31 106.6 . . ?
C25 C31 H31 106.6 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C27 C34 C36 110.3(7) . . ?
C27 C34 C35 110.4(7) . . ?
C36 C34 C35 110.0(7) . . ?
C27 C34 H34 108.7 . . ?
C36 C34 H34 108.7 . . ?
C35 C34 H34 108.7 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C37 Pb2 Pb2 94.52(14) . 2_776 ?
C38 C37 C42 116.7(7) . . ?
C38 C37 Pb2 122.6(5) . . ?
C42 C37 Pb2 120.4(6) . . ?
C39 C38 C37 121.5(7) . . ?
C39 C38 C43 116.0(7) . . ?
C37 C38 C43 122.3(6) . . ?
C38 C39 C40 121.8(9) . . ?
C38 C39 H39 119.1 . . ?
C40 C39 H39 119.1 . . ?
C39 C40 C41 117.8(8) . . ?
C39 C40 H40 121.1 . . ?
C41 C40 H40 121.1 . . ?
C40 C41 C42 121.2(7) . . ?
C40 C41 H41 119.4 . . ?
C42 C41 H41 119.4 . . ?
C41 C42 C37 120.6(8) . . ?
C41 C42 C58 116.8(7) . . ?
C37 C42 C58 122.4(7) . . ?
C44 C43 C48 120.8(7) . . ?
C44 C43 C38 120.2(7) . . ?
C48 C43 C38 118.8(7) . . ?
C43 C44 C45 118.6(8) . . ?
C43 C44 C49 122.0(7) . . ?
C45 C44 C49 119.4(8) . . ?
C44 C45 C46 122.6(9) . . ?
C44 C45 H45 118.7 . . ?
C46 C45 H45 118.7 . . ?
C47 C46 C45 116.4(8) . . ?
C47 C46 C52 125.0(10) . . ?
C45 C46 C52 118.5(11) . . ?
C46 C47 C48 123.6(8) . . ?
C46 C47 H47 118.2 . . ?
C48 C47 H47 118.2 . . ?
C43 C48 C47 117.8(8) . . ?
C43 C48 C55 122.0(7) . . ?
C47 C48 C55 120.1(8) . . ?
C50 C49 C51 109.7(8) . . ?
C50 C49 C44 110.2(8) . . ?
C51 C49 C44 112.6(7) . . ?
C50 C49 H49 108.1 . . ?
C51 C49 H49 108.1 . . ?
C44 C49 H49 108.1 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C54 C52 C46 112.7(11) . . ?
C54 C52 C53 99.7(12) . . ?
C46 C52 C53 106.5(11) . . ?
C54 C52 H52 112.4 . . ?
C46 C52 H52 112.4 . . ?
C53 C52 H52 112.4 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C56 C55 C57 107.8(9) . . ?
C56 C55 C48 115.4(10) . . ?
C57 C55 C48 116.2(8) . . ?
C56 C55 H55 105.5 . . ?
C57 C55 H55 105.5 . . ?
C48 C55 H55 105.5 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C63 C58 C59 119.6(8) . . ?
C63 C58 C42 118.5(7) . . ?
C59 C58 C42 121.6(7) . . ?
C60 C59 C58 119.5(8) . . ?
C60 C59 C64 119.6(7) . . ?
C58 C59 C64 120.8(8) . . ?
C61 C60 C59 121.0(8) . . ?
C61 C60 H60 119.5 . . ?
C59 C60 H60 119.5 . . ?
C60 C61 C62 118.6(9) . . ?
C60 C61 C67 118.0(10) . . ?
C62 C61 C67 123.4(11) . . ?
C61 C62 C63 122.6(9) . . ?
C61 C62 H62 118.7 . . ?
C63 C62 H62 118.7 . . ?
C58 C63 C62 118.5(8) . . ?
C58 C63 C70 121.6(8) . . ?
C62 C63 C70 119.9(8) . . ?
C59 C64 C66 113.1(8) . . ?
C59 C64 C65 110.5(7) . . ?
C66 C64 C65 108.4(7) . . ?
C59 C64 H64 108.2 . . ?
C66 C64 H64 108.2 . . ?
C65 C64 H64 108.2 . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C64 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C64 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C69 C67 C68 111.2(13) . . ?
C69 C67 C61 114.5(12) . . ?
C68 C67 C61 113.1(11) . . ?
C69 C67 H67 105.8 . . ?
C68 C67 H67 105.8 . . ?
C61 C67 H67 105.8 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C63 C70 C72 114.3(9) . . ?
C63 C70 C71 110.5(7) . . ?
C72 C70 C71 110.1(7) . . ?
C63 C70 H70 107.2 . . ?
C72 C70 H70 107.2 . . ?
C71 C70 H70 107.2 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C85 O7 C86 112.7(7) . . ?
C85 O7 K2 112.8(6) . . ?
C86 O7 K2 117.4(5) . . ?
C88 O8 C87 117.6(7) . . ?
C88 O8 K2 118.5(5) . . ?
C87 O8 K2 114.0(5) . . ?
C90 O9 C89 118.2(8) . . ?
C90 O9 K2 113.9(6) . . ?
C89 O9 K2 120.0(5) . . ?
O7 C85 C90 114.1(9) . 2_677 ?
O7 C85 K2 46.1(4) . . ?
C90 C85 K2 79.6(5) 2_677 . ?
O7 C85 H85A 108.7 . . ?
C90 C85 H85A 108.7 2_677 . ?
K2 C85 H85A 152.5 . . ?
O7 C85 H85B 108.7 . . ?
C90 C85 H85B 108.7 2_677 . ?
K2 C85 H85B 93.6 . . ?
H85A C85 H85B 107.6 . . ?
O7 C86 C87 111.0(7) . . ?
O7 C86 H86A 109.4 . . ?
C87 C86 H86A 109.4 . . ?
O7 C86 H86B 109.4 . . ?
C87 C86 H86B 109.4 . . ?
H86A C86 H86B 108.0 . . ?
O8 C87 C86 112.6(8) . . ?
O8 C87 H87A 109.1 . . ?
C86 C87 H87A 109.1 . . ?
O8 C87 H87B 109.1 . . ?
C86 C87 H87B 109.1 . . ?
H87A C87 H87B 107.8 . . ?
O8 C88 C89 115.6(8) . . ?
O8 C88 H88A 108.4 . . ?
C89 C88 H88A 108.4 . . ?
O8 C88 H88B 108.4 . . ?
C89 C88 H88B 108.4 . . ?
H88A C88 H88B 107.4 . . ?
O9 C89 C88 114.0(9) . . ?
O9 C89 H89A 108.8 . . ?
C88 C89 H89A 108.8 . . ?
O9 C89 H89B 108.8 . . ?
C88 C89 H89B 108.8 . . ?
H89A C89 H89B 107.6 . . ?
O9 C90 C85 118.3(10) . 2_677 ?
O9 C90 H90A 107.7 . . ?
C85 C90 H90A 107.7 2_677 . ?
O9 C90 H90B 107.7 . . ?
C85 C90 H90B 107.7 2_677 . ?
H90A C90 H90B 107.1 . . ?
O3 K1 O1 117.9(3) . . ?
O3 K1 O6 152.1(3) . . ?
O1 K1 O6 58.7(3) . . ?
O3 K1 O2 59.4(3) . . ?
O1 K1 O2 58.7(3) . . ?
O6 K1 O2 112.0(3) . . ?
O3 K1 O5 116.8(3) . . ?
O1 K1 O5 118.2(3) . . ?
O6 K1 O5 59.5(3) . . ?
O2 K1 O5 156.9(3) . . ?
O3 K1 O4 59.5(3) . . ?
O1 K1 O4 152.3(3) . . ?
O6 K1 O4 109.3(3) . . ?
O2 K1 O4 113.5(3) . . ?
O5 K1 O4 57.3(3) . . ?
C84 O1 C73 115.6(11) . . ?
C84 O1 K1 118.3(8) . . ?
C73 O1 K1 119.3(8) . . ?
C75 O2 C74 108.3(9) . . ?
C75 O2 K1 106.0(7) . . ?
C74 O2 K1 104.2(9) . . ?
C76 O3 C77 115.9(9) . . ?
C76 O3 K1 114.1(8) . . ?
C77 O3 K1 115.5(8) . . ?
C79 O4 C78 113.7(11) . . ?
C79 O4 K1 106.9(9) . . ?
C78 O4 K1 108.7(8) . . ?
C81 O5 C80 113.7(11) . . ?
C81 O5 K1 111.9(9) . . ?
C80 O5 K1 118.6(8) . . ?
C82 O6 C83 112.6(10) . . ?
C82 O6 K1 108.7(8) . . ?
C83 O6 K1 112.7(8) . . ?
O1 C73 C74 109.2(12) . . ?
O1 C73 H73A 109.8 . . ?
C74 C73 H73A 109.8 . . ?
O1 C73 H73B 109.8 . . ?
C74 C73 H73B 109.8 . . ?
H73A C73 H73B 108.3 . . ?
O2 C74 C73 111.6(11) . . ?
O2 C74 K1 52.5(7) . . ?
C73 C74 K1 86.7(8) . . ?
O2 C74 H74A 109.3 . . ?
C73 C74 H74A 109.3 . . ?
K1 C74 H74A 75.9 . . ?
O2 C74 H74B 109.3 . . ?
C73 C74 H74B 109.3 . . ?
K1 C74 H74B 160.3 . . ?
H74A C74 H74B 108.0 . . ?
O2 C75 C76 103.8(9) . . ?
O2 C75 K1 52.0(6) . . ?
C76 C75 K1 81.6(6) . . ?
O2 C75 H75A 111.0 . . ?
C76 C75 H75A 111.0 . . ?
K1 C75 H75A 162.0 . . ?
O2 C75 H75B 111.0 . . ?
C76 C75 H75B 111.0 . . ?
K1 C75 H75B 76.5 . . ?
H75A C75 H75B 109.0 . . ?
O3 C76 C75 110.3(10) . . ?
O3 C76 H76A 109.6 . . ?
C75 C76 H76A 109.6 . . ?
O3 C76 H76B 109.6 . . ?
C75 C76 H76B 109.6 . . ?
H76A C76 H76B 108.1 . . ?
O3 C77 C78 110.7(11) . . ?
O3 C77 H77A 109.5 . . ?
C78 C77 H77A 109.5 . . ?
O3 C77 H77B 109.5 . . ?
C78 C77 H77B 109.5 . . ?
H77A C77 H77B 108.1 . . ?
O4 C78 C77 109.0(11) . . ?
O4 C78 H78A 109.9 . . ?
C77 C78 H78A 109.9 . . ?
O4 C78 H78B 109.9 . . ?
C77 C78 H78B 109.9 . . ?
H78A C78 H78B 108.3 . . ?
O4 C79 C80 112.6(11) . . ?
O4 C79 H79A 109.1 . . ?
C80 C79 H79A 109.1 . . ?
O4 C79 H79B 109.1 . . ?
C80 C79 H79B 109.1 . . ?
H79A C79 H79B 107.8 . . ?
O5 C80 C79 105.7(11) . . ?
O5 C80 H80A 110.6 . . ?
C79 C80 H80A 110.6 . . ?
O5 C80 H80B 110.6 . . ?
C79 C80 H80B 110.6 . . ?
H80A C80 H80B 108.7 . . ?
O5 C81 C82 110.0(11) . . ?
O5 C81 H81A 109.7 . . ?
C82 C81 H81A 109.7 . . ?
O5 C81 H81B 109.7 . . ?
C82 C81 H81B 109.7 . . ?
H81A C81 H81B 108.2 . . ?
O6 C82 C81 106.2(11) . . ?
O6 C82 K1 49.3(7) . . ?
C81 C82 K1 81.6(8) . . ?
O6 C82 H82A 110.5 . . ?
C81 C82 H82A 110.5 . . ?
K1 C82 H82A 80.6 . . ?
O6 C82 H82B 110.5 . . ?
C81 C82 H82B 110.5 . . ?
K1 C82 H82B 159.6 . . ?
H82A C82 H82B 108.7 . . ?
O6 C83 C84 109.3(11) . . ?
O6 C83 H83A 109.8 . . ?
C84 C83 H83A 109.8 . . ?
O6 C83 H83B 109.8 . . ?
C84 C83 H83B 109.8 . . ?
H83A C83 H83B 108.3 . . ?
O1 C84 C83 110.2(11) . . ?
O1 C84 H84A 109.6 . . ?
C83 C84 H84A 109.6 . . ?
O1 C84 H84B 109.6 . . ?
C83 C84 H84B 109.6 . . ?
H84A C84 H84B 108.1 . . ?
O7 K2 O9 115.0(3) . . ?
O7 K2 O8 59.8(2) . . ?
O9 K2 O8 57.5(2) . . ?
O7 K2 C85 21.1(2) . . ?
O9 K2 C85 135.7(3) . . ?
O8 K2 C85 78.9(3) . . ?

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
C6 C1 C2 C3 4.9(9) . . . . ?
Pb1 C1 C2 C3 178.1(5) . . . . ?
C6 C1 C2 C7 -170.4(6) . . . . ?
Pb1 C1 C2 C7 2.8(8) . . . . ?
C1 C2 C3 C4 -1.9(10) . . . . ?
C7 C2 C3 C4 173.7(6) . . . . ?
C2 C3 C4 C5 -0.8(10) . . . . ?
C3 C4 C5 C6 0.5(10) . . . . ?
C4 C5 C6 C1 2.7(10) . . . . ?
C4 C5 C6 C22 -171.6(6) . . . . ?
C2 C1 C6 C5 -5.3(9) . . . . ?
Pb1 C1 C6 C5 -178.4(5) . . . . ?
C2 C1 C6 C22 168.6(6) . . . . ?
Pb1 C1 C6 C22 -4.5(8) . . . . ?
C1 C2 C7 C12 79.8(9) . . . . ?
C3 C2 C7 C12 -95.7(8) . . . . ?
C1 C2 C7 C8 -105.9(8) . . . . ?
C3 C2 C7 C8 78.7(8) . . . . ?
C12 C7 C8 C9 4.1(11) . . . . ?
C2 C7 C8 C9 -170.2(7) . . . . ?
C12 C7 C8 C13 -175.5(7) . . . . ?
C2 C7 C8 C13 10.2(10) . . . . ?
C7 C8 C9 C10 -0.4(13) . . . . ?
C13 C8 C9 C10 179.3(8) . . . . ?
C8 C9 C10 C11 -2.9(14) . . . . ?
C8 C9 C10 C16 174.3(9) . . . . ?
C9 C10 C11 C12 2.4(14) . . . . ?
C16 C10 C11 C12 -174.7(9) . . . . ?
C8 C7 C12 C11 -4.6(11) . . . . ?
C2 C7 C12 C11 169.8(7) . . . . ?
C8 C7 C12 C19 177.5(7) . . . . ?
C2 C7 C12 C19 -8.1(10) . . . . ?
C10 C11 C12 C7 1.4(13) . . . . ?
C10 C11 C12 C19 179.3(8) . . . . ?
C9 C8 C13 C15 -46.8(10) . . . . ?
C7 C8 C13 C15 132.9(8) . . . . ?
C9 C8 C13 C14 78.4(9) . . . . ?
C7 C8 C13 C14 -102.0(8) . . . . ?
C9 C10 C16 C18 75.4(19) . . . . ?
C11 C10 C16 C18 -107.5(16) . . . . ?
C9 C10 C16 C17 -123.5(12) . . . . ?
C11 C10 C16 C17 53.6(17) . . . . ?
C7 C12 C19 C21 -140.0(9) . . . . ?
C11 C12 C19 C21 42.1(11) . . . . ?
C7 C12 C19 C20 92.3(9) . . . . ?
C11 C12 C19 C20 -85.6(10) . . . . ?
C5 C6 C22 C23 92.0(9) . . . . ?
C1 C6 C22 C23 -82.1(9) . . . . ?
C5 C6 C22 C27 -81.4(9) . . . . ?
C1 C6 C22 C27 104.4(8) . . . . ?
C27 C22 C23 C24 2.5(12) . . . . ?
C6 C22 C23 C24 -171.2(8) . . . . ?
C27 C22 C23 C28 179.2(8) . . . . ?
C6 C22 C23 C28 5.5(12) . . . . ?
C22 C23 C24 C25 -0.2(13) . . . . ?
C28 C23 C24 C25 -177.0(8) . . . . ?
C23 C24 C25 C26 -2.2(13) . . . . ?
C23 C24 C25 C31 176.1(8) . . . . ?
C24 C25 C26 C27 2.2(13) . . . . ?
C31 C25 C26 C27 -176.0(8) . . . . ?
C25 C26 C27 C22 0.2(13) . . . . ?
C25 C26 C27 C34 178.3(8) . . . . ?
C23 C22 C27 C26 -2.5(12) . . . . ?
C6 C22 C27 C26 171.1(7) . . . . ?
C23 C22 C27 C34 179.3(8) . . . . ?
C6 C22 C27 C34 -7.0(11) . . . . ?
C22 C23 C28 C29 128.8(9) . . . . ?
C24 C23 C28 C29 -54.5(11) . . . . ?
C22 C23 C28 C30 -108.7(9) . . . . ?
C24 C23 C28 C30 68.0(10) . . . . ?
C26 C25 C31 C32 -118.9(10) . . . . ?
C24 C25 C31 C32 62.9(11) . . . . ?
C26 C25 C31 C33 114.4(10) . . . . ?
C24 C25 C31 C33 -63.8(11) . . . . ?
C26 C27 C34 C36 -73.1(10) . . . . ?
C22 C27 C34 C36 105.0(9) . . . . ?
C26 C27 C34 C35 48.7(11) . . . . ?
C22 C27 C34 C35 -133.2(8) . . . . ?
C42 C37 C38 C39 5.5(10) . . . . ?
Pb2 C37 C38 C39 179.5(5) . . . . ?
C42 C37 C38 C43 -170.1(6) . . . . ?
Pb2 C37 C38 C43 3.9(9) . . . . ?
C37 C38 C39 C40 -0.9(11) . . . . ?
C43 C38 C39 C40 174.9(7) . . . . ?
C38 C39 C40 C41 -3.7(12) . . . . ?
C39 C40 C41 C42 3.5(11) . . . . ?
C40 C41 C42 C37 1.2(11) . . . . ?
C40 C41 C42 C58 -174.1(7) . . . . ?
C38 C37 C42 C41 -5.6(9) . . . . ?
Pb2 C37 C42 C41 -179.7(5) . . . . ?
C38 C37 C42 C58 169.4(6) . . . . ?
Pb2 C37 C42 C58 -4.7(8) . . . . ?
C39 C38 C43 C44 81.8(9) . . . . ?
C37 C38 C43 C44 -102.4(9) . . . . ?
C39 C38 C43 C48 -93.9(9) . . . . ?
C37 C38 C43 C48 81.9(9) . . . . ?
C48 C43 C44 C45 4.7(14) . . . . ?
C38 C43 C44 C45 -170.9(9) . . . . ?
C48 C43 C44 C49 -177.5(8) . . . . ?
C38 C43 C44 C49 6.9(12) . . . . ?
C43 C44 C45 C46 -2.3(17) . . . . ?
C49 C44 C45 C46 179.8(10) . . . . ?
C44 C45 C46 C47 -0.7(18) . . . . ?
C44 C45 C46 C52 177.0(11) . . . . ?
C45 C46 C47 C48 1.5(16) . . . . ?
C52 C46 C47 C48 -176.0(10) . . . . ?
C44 C43 C48 C47 -3.9(12) . . . . ?
C38 C43 C48 C47 171.7(7) . . . . ?
C44 C43 C48 C55 175.3(8) . . . . ?
C38 C43 C48 C55 -9.0(12) . . . . ?
C46 C47 C48 C43 0.7(13) . . . . ?
C46 C47 C48 C55 -178.6(9) . . . . ?
C43 C44 C49 C50 -103.3(10) . . . . ?
C45 C44 C49 C50 74.5(12) . . . . ?
C43 C44 C49 C51 134.0(9) . . . . ?
C45 C44 C49 C51 -48.3(13) . . . . ?
C47 C46 C52 C54 -42.2(18) . . . . ?
C45 C46 C52 C54 140.3(13) . . . . ?
C47 C46 C52 C53 66.1(16) . . . . ?
C45 C46 C52 C53 -111.4(15) . . . . ?
C43 C48 C55 C56 96.8(12) . . . . ?
C47 C48 C55 C56 -83.9(12) . . . . ?
C43 C48 C55 C57 -135.7(10) . . . . ?
C47 C48 C55 C57 43.6(13) . . . . ?
C41 C42 C58 C63 94.2(8) . . . . ?
C37 C42 C58 C63 -81.0(8) . . . . ?
C41 C42 C58 C59 -80.1(8) . . . . ?
C37 C42 C58 C59 104.7(8) . . . . ?
C63 C58 C59 C60 -2.7(11) . . . . ?
C42 C58 C59 C60 171.5(7) . . . . ?
C63 C58 C59 C64 177.6(7) . . . . ?
C42 C58 C59 C64 -8.2(11) . . . . ?
C58 C59 C60 C61 -0.9(12) . . . . ?
C64 C59 C60 C61 178.8(8) . . . . ?
C59 C60 C61 C62 4.3(14) . . . . ?
C59 C60 C61 C67 -176.8(9) . . . . ?
C60 C61 C62 C63 -4.3(14) . . . . ?
C67 C61 C62 C63 176.8(9) . . . . ?
C59 C58 C63 C62 2.7(11) . . . . ?
C42 C58 C63 C62 -171.6(7) . . . . ?
C59 C58 C63 C70 -178.1(7) . . . . ?
C42 C58 C63 C70 7.5(11) . . . . ?
C61 C62 C63 C58 0.8(13) . . . . ?
C61 C62 C63 C70 -178.4(8) . . . . ?
C60 C59 C64 C66 43.2(10) . . . . ?
C58 C59 C64 C66 -137.2(8) . . . . ?
C60 C59 C64 C65 -78.6(10) . . . . ?
C58 C59 C64 C65 101.1(9) . . . . ?
C60 C61 C67 C69 -142.6(14) . . . . ?
C62 C61 C67 C69 36.3(18) . . . . ?
C60 C61 C67 C68 88.7(15) . . . . ?
C62 C61 C67 C68 -92.4(15) . . . . ?
C58 C63 C70 C72 140.1(8) . . . . ?
C62 C63 C70 C72 -40.8(10) . . . . ?
C58 C63 C70 C71 -95.0(9) . . . . ?
C62 C63 C70 C71 84.1(11) . . . . ?
C86 O7 C85 C90 179.1(11) . . . 2_677 ?
K2 O7 C85 C90 -45.1(15) . . . 2_677 ?
C86 O7 C85 K2 -135.8(12) . . . . ?
C85 O7 C86 C87 -178.2(10) . . . . ?
K2 O7 C86 C87 48.2(10) . . . . ?
C88 O8 C87 C86 -175.6(10) . . . . ?
K2 O8 C87 C86 39.0(11) . . . . ?
O7 C86 C87 O8 -58.2(13) . . . . ?
C87 O8 C88 C89 -171.7(12) . . . . ?
K2 O8 C88 C89 -27.9(17) . . . . ?
C90 O9 C89 C88 173.6(13) . . . . ?
K2 O9 C89 C88 -39.0(15) . . . . ?
O8 C88 C89 O9 44.0(19) . . . . ?
C89 O9 C90 C85 -177.1(13) . . . 2_677 ?
K2 O9 C90 C85 33.7(18) . . . 2_677 ?
C84 O1 C73 C74 173.3(12) . . . . ?
K1 O1 C73 C74 22.6(19) . . . . ?
C75 O2 C74 C73 -180.0(13) . . . . ?
K1 O2 C74 C73 67.5(14) . . . . ?
C75 O2 C74 K1 112.5(10) . . . . ?
O1 C73 C74 O2 -63(2) . . . . ?
O1 C73 C74 K1 -15.8(14) . . . . ?
C74 O2 C75 C76 -178.7(12) . . . . ?
K1 O2 C75 C76 -67.5(9) . . . . ?
C74 O2 C75 K1 -111.3(12) . . . . ?
C77 O3 C76 C75 -176.5(12) . . . . ?
K1 O3 C76 C75 -38.6(14) . . . . ?
O2 C75 C76 O3 74.9(15) . . . . ?
K1 C75 C76 O3 27.6(11) . . . . ?
C76 O3 C77 C78 -178.6(13) . . . . ?
K1 O3 C77 C78 44.1(15) . . . . ?
C79 O4 C78 C77 175.5(12) . . . . ?
K1 O4 C78 C77 56.5(12) . . . . ?
O3 C77 C78 O4 -70.3(17) . . . . ?
C78 O4 C79 C80 172.5(12) . . . . ?
K1 O4 C79 C80 -67.5(13) . . . . ?
C81 O5 C80 C79 -166.8(14) . . . . ?
K1 O5 C80 C79 -32.2(16) . . . . ?
O4 C79 C80 O5 69.0(17) . . . . ?
C80 O5 C81 C82 -178.0(13) . . . . ?
K1 O5 C81 C82 44.3(15) . . . . ?
C83 O6 C82 C81 -171.1(12) . . . . ?
K1 O6 C82 C81 63.2(12) . . . . ?
C83 O6 C82 K1 125.6(13) . . . . ?
O5 C81 C82 O6 -75.7(17) . . . . ?
O5 C81 C82 K1 -32.6(12) . . . . ?
C82 O6 C83 C84 -177.7(12) . . . . ?
K1 O6 C83 C84 -54.2(15) . . . . ?
C73 O1 C84 C83 169.5(14) . . . . ?
K1 O1 C84 C83 -39.5(13) . . . . ?
O6 C83 C84 O1 62.8(17) . . . . ?

_refine_diff_density_max         2.730
_refine_diff_density_min         -0.982
_refine_diff_density_rms         0.186




_chemical_properties_physical    Air-sensitive,Heat-sensitive,Light-sensitive
