# Electronic Supplementary Material (ESI) for Materials Advances.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_pb_sx
_database_code_depnum_ccdc_archive 'CCDC 2058105'
loop_
_audit_author_name
_audit_author_address
'Amit Adhikary'
;university of calcutta 
India
;
_audit_update_record             
;
2021-01-22 deposited with the CCDC.	2022-07-13 downloaded from the CCDC.
;
_audit_creation_date             2020-10-18
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
# start Validation Reply Form
_vrf_PLAT211_pb_sx               
;
PROBLEM: ADP of Atom O1A1      is N.P.D. or (nearly) 2D .     Please Check 
RESPONSE: due to poor reflection
;
_vrf_PLAT213_pb_sx               
;
PROBLEM: Atom N16             has ADP max/min Ratio .....        6.0 prolat
RESPONSE: due to poor reflection
;
_chemical_formula_moiety         
'0.02(C118 H98 N46 O22 Pb10), 0.08(N O3), 0.08(O)'
_chemical_formula_sum            'C59 H49 N25 O19 Pb5'
_chemical_formula_weight         2448.24
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
Pb -3.20855 10.15388 31.06170 13.06370 18.44200 5.96960 0.69020 2.35760 8.61800
47.25790 13.4118003845
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
O 0.01158 0.00611 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z

_symmetry_Int_Tables_number      2
_cell_length_a                   13.5047(14)
_cell_length_b                   15.0579(16)
_cell_length_c                   23.174(2)
_cell_angle_alpha                87.553(4)
_cell_angle_beta                 85.906(4)
_cell_angle_gamma                86.948(4)
_cell_volume                     4690.3(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9843
_cell_measurement_theta_min      2.28
_cell_measurement_theta_max      23.26
_exptl_crystal_description       Plate
_exptl_crystal_colour            Colorless
_exptl_absorpt_coefficient_mu    9.013
_exptl_crystal_density_diffrn    1.7334
_exptl_crystal_F_000             2250.5047
_diffrn_reflns_av_R_equivalents  0.1187
_diffrn_reflns_av_unetI/netI     0.1815
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            26892
_diffrn_reflns_theta_full        23.2526
_diffrn_reflns_theta_max         23.25
_diffrn_reflns_theta_min         2.24
_diffrn_ambient_temperature      149.95
_diffrn_measured_fraction_theta_full 0.9572
_diffrn_measured_fraction_theta_max 0.9572
_diffrn_radiation_type           'Mo K\a'
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              14
_reflns_limit_h_min              -14
_reflns_limit_k_max              16
_reflns_limit_k_min              -16
_reflns_limit_l_max              25
_reflns_limit_l_min              0
_reflns_number_gt                7712
_reflns_number_total             12869
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         7.8709
_refine_diff_density_min         -5.7000
_refine_diff_density_rms         0.7651
_refine_ls_d_res_high            0.9001
_refine_ls_d_res_low             9.0884
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_goodness_of_fit_ref   1.0865
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    85
_refine_ls_number_parameters     980
_refine_ls_number_reflns         12869
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1793
_refine_ls_R_factor_gt           0.1246
_refine_ls_restrained_S_all      1.0865
_refine_ls_shift/su_max          0.0995
_refine_ls_shift/su_mean         0.0037
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.2P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2996
_refine_ls_wR_factor_ref         0.3421
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C20(H20a,H20b)
2.b Aromatic/amide H refined with riding coordinates:
 C8B(H8B), C17(H17), C17B(H17B), C74(H74), C20B(H20c), C7(H7), C9A(H9A),
 C83(H83), C6A(H6A), C70(H70), C93(H93), C66(H66), C14A(H14A), C19(H19),
 C11A(H11A), C15(H15), C10A(H10A), C19B(H19B), C19A(H19A), C23(H23), N27(H27),
 C86(H86), C87(H87), C14(H14), C1A(H1A), C2A(H2A), C20A(H20d), C5C(H5C),
 C12D(H12D)
2.c Idealised Me refined as rotating group:
 C12A(H12a,H12b,H12c), C17A(H17a,H17c,H17d), C1C(H1Ca,H1Cb,H1Cc), C2C(H2Ca,
 H2Cb,H2Cc), C10C(H10b,H10c,H10d), C19C(H19c,H19d,H19e)
;
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_refinement_flags_posn
Pb1 Pb 0.41386(8) 0.67334(9) 0.90122(5) 0.0396(4) Uani 1.000000 .
Pb2 Pb 0.09453(8) 1.02289(10) 0.68400(5) 0.0418(5) Uani 1.000000 .
Pb3 Pb 0.26818(9) 0.92541(9) 0.83184(5) 0.0400(4) Uani 1.000000 .
Pb4 Pb 0.34056(8) 0.46963(9) 1.01925(5) 0.0415(5) Uani 1.000000 .
Pb5 Pb 0.16343(8) 1.13060(10) 0.51856(5) 0.0434(5) Uani 1.000000 .
C6 C 0.273(2) 1.150(2) 0.6970(13) 0.042(9) Uani 1.000000 .
C7 C 0.758(3) 0.676(3) 0.6244(15) 0.067(12) Uani 1.000000 .
O8 O 0.5548(16) 0.0712(19) 0.2426(8) 0.056(7) Uani 1.000000 .
N9 N 0.503(2) 0.121(2) 0.2113(12) 0.050(8) Uani 1.000000 .
C12 C 0.1894(18) 0.603(2) 0.8666(11) 0.028(7) Uani 1.000000 .
N16 N 0.2280(15) 0.9711(18) 0.6156(10) 0.040(7) Uani 1.000000 .
C17 C 0.304(2) 0.313(3) 1.1824(11) 0.051(11) Uani 1.000000 .
O18 O 0.2846(13) 0.7149(13) 0.8173(8) 0.032(5) Uani 1.000000 .
C20 C 0.360(3) 0.891(3) 0.5731(13) 0.068(13) Uani 1.000000 .
C23 C 0.445(3) 0.935(3) 0.4464(14) 0.064(12) Uani 1.000000 .
N27 N 0.3434(19) 0.779(2) 0.6937(11) 0.051(8) Uani 1.000000 .
N29 N 0.2601(15) 0.5941(16) 0.9048(9) 0.027(6) Uani 1.000000 .
O31 O 0.3692(14) 0.6242(14) 1.0032(8) 0.036(5) Uani 1.000000 .
C32 C 0.166(3) 0.989(3) 0.9667(14) 0.060(11) Uani 1.000000 .
O33 O 0.2041(15) 0.8620(17) 0.7130(9) 0.051(7) Uani 1.000000 .
N34 N 0.2375(17) 0.5301(17) 0.9436(10) 0.038(7) Uani 1.000000 .
N35 N 0.2498(16) 1.012(2) 0.5652(10) 0.055(9) Uani 1.000000 .
N38 N 0.2871(19) 0.869(2) 0.9343(10) 0.055(9) Uani 1.000000 .
N41 N 0.175(2) 1.0144(18) 0.9104(11) 0.048(8) Uani 1.000000 .
N43 N 0.2537(17) 0.6606(19) 1.0797(9) 0.040(7) Uani 1.000000 .
N44 N 0.2655(17) 0.5719(18) 1.0984(9) 0.036(7) Uani 1.000000 .
N46 N 0.3167(18) 1.064(2) 0.4573(11) 0.057(9) Uani 1.000000 .
N48 N 0.9695(19) 0.090(3) 0.1564(12) 0.076(13) Uani 1.000000 .
N49 N 0.0415(19) 0.6722(19) 0.7975(10) 0.047(8) Uani 1.000000 .
N50 N 0.2611(18) 1.0746(18) 0.7810(9) 0.037(7) Uani 1.000000 .
C51 C 0.201(3) 0.677(2) 0.8225(13) 0.048(10) Uani 1.000000 .
O52 O 0.1013(15) 0.9714(17) 0.4714(9) 0.053(7) Uani 1.000000 .
O53 O 0.405(2) 0.378(2) 0.9102(13) 0.086(10) Uani 1.000000 .
N54 N 0.1571(18) 0.4020(19) 1.0163(10) 0.043(7) Uani 1.000000 .
N56 N 0.3155(17) 1.2169(17) 0.6078(9) 0.034(6) Uani 1.000000 .
O57 O 0.9363(17) 0.0350(18) 0.1962(9) 0.057(7) Uani 1.000000 .
C59 C 0.287(3) 0.768(2) 1.0057(12) 0.037(8) Uani 1.000000 .
O61 O 0.5398(17) 0.1654(17) 0.1666(10) 0.063(7) Uani 1.000000 .
C62 C 0.323(2) 0.959(2) 0.5363(11) 0.037(8) Uani 1.000000 .
C64 C 0.305(2) 0.676(2) 1.0323(12) 0.036(8) Uani 1.000000 .
N65 N 0.3904(17) 1.042(3) 0.8637(10) 0.060(10) Uani 1.000000 .
C66 C 0.018(2) 0.397(2) 0.9638(12) 0.043(9) Uani 1.000000 .
N67 N 0.2930(17) 1.227(2) 0.5504(10) 0.065(11) Uani 1.000000 .
C70 C 0.030(2) 0.305(2) 1.0507(12) 0.037(8) Uani 1.000000 .
C71 C 0.274(2) 0.847(2) 0.6795(12) 0.035(8) Uani 1.000000 .
N72 N 0.3253(19) 0.7850(19) 0.9525(12) 0.053(9) Uani 1.000000 .
C74 C 0.132(2) 0.428(3) 1.1948(12) 0.057(12) Uani 1.000000 .
C76 C 0.150(2) 0.493(3) 0.9299(13) 0.049(10) Uani 1.000000 .
C78 C 0.109(2) 0.4279(18) 0.9693(12) 0.027(7) Uani 1.000000 .
C79 C 0.249(2) 1.175(2) 0.6397(13) 0.036(8) Uani 1.000000 .
N81 N 0.2210(16) 1.0904(17) 0.7302(9) 0.033(6) Uani 1.000000 .
C82 C 0.216(2) 0.552(3) 1.1488(13) 0.047(10) Uani 1.000000 .
C83 C 0.576(2) 0.702(2) 0.5817(12) 0.044(9) Uani 1.000000 .
C86 C 0.117(3) 1.089(3) 0.8998(15) 0.061(11) Uani 1.000000 .
C87 C 0.103(3) 1.030(2) 1.0075(15) 0.058(10) Uani 1.000000 .
C88 C 0.6586(19) 0.708(2) 0.5435(14) 0.040(8) Uani 1.000000 .
N90 N 0.1309(19) 0.705(2) 0.7876(10) 0.046(8) Uani 1.000000 .
C92 C 0.348(2) 1.122(2) 0.7791(12) 0.041(9) Uani 1.000000 .
C93 C -0.022(3) 0.329(2) 1.0034(13) 0.043(9) Uani 1.000000 .
O94 O 0.919(2) 0.150(2) 0.1340(12) 0.077(9) Uani 1.000000 .
O11 O 0.1673(13) 1.1501(14) 0.6240(7) 0.032(5) Uani 1.000000 .
C14 C 0.361(2) 1.173(3) 0.7299(13) 0.052(10) Uani 1.000000 .
C15 C 0.469(3) 1.176(3) 0.8448(15) 0.056(10) Uani 1.000000 .
C19 C 0.518(3) 1.089(3) 0.9232(16) 0.065(12) Uani 1.000000 .
O7B O 0.551(2) 0.7264(17) 0.9657(13) 0.064(9) Uani 1.000000 .
C8B C 0.303(2) 0.408(2) 1.1632(13) 0.037(8) Uani 1.000000 .
O9B O -0.0038(17) 0.9313(17) 0.4145(9) 0.054(7) Uani 1.000000 .
N10B N 0.0501(19) 0.995(3) 0.4284(12) 0.054(9) Uani 1.000000 .
C11B C 0.219(2) 0.464(2) 1.1700(12) 0.037(9) Uani 1.000000 .
C12B C 0.1293(17) 0.333(2) 1.2119(11) 0.033(8) Uani 1.000000 .
N13B N 0.4265(18) 0.765(2) 0.6615(12) 0.056(9) Uani 1.000000 .
O4B O 0.053(2) 1.067(2) 0.4016(12) 0.086(10) Uani 1.000000 .
C15B C 0.494(2) 0.709(2) 0.6805(12) 0.034(8) Uani 1.000000 .
C16B C 0.405(2) 1.114(2) 0.8321(11) 0.027(7) Uani 1.000000 .
C17B C 0.219(2) 0.283(3) 1.2045(12) 0.047(9) Uani 1.000000 .
N18B N 0.458(2) 0.439(3) 0.8964(13) 0.057(9) Uani 1.000000 .
C19B C 0.420(3) 1.037(3) 0.3665(13) 0.064(13) Uani 1.000000 .
C20B C 0.680(2) 0.672(2) 0.6595(15) 0.049(10) Uani 1.000000 .
C1A C 0.1137(16) 0.542(2) 0.8832(11) 0.042(10) Uani 1.000000 .
C2A C 0.224(2) 0.840(2) 1.0231(13) 0.045(10) Uani 1.000000 .
C3A C 0.292(2) 0.900(2) 0.6269(13) 0.048(10) Uani 1.000000 .
C4A C 0.229(2) 0.899(2) 0.9779(13) 0.041(9) Uani 1.000000 .
C5A C -0.036(2) 0.704(3) 0.7711(13) 0.052(11) Uani 1.000000 .
C6A C 0.121(3) 0.344(2) 1.0544(12) 0.044(9) Uani 1.000000 .
N7A N 0.659(2) 0.832(3) 0.9588(13) 0.077(11) Uani 1.000000 .
C8A C 0.362(2) 0.988(3) 0.4809(14) 0.049(10) Uani 1.000000 .
C9A C 0.752(2) 0.691(2) 0.5631(13) 0.049(9) Uani 1.000000 .
C10A C 0.342(2) 1.086(3) 0.4004(12) 0.064(13) Uani 1.000000 .
C11A C 0.519(2) 1.168(3) 0.8907(18) 0.071(13) Uani 1.000000 .
C12A C 0.485(3) 0.654(3) 0.7383(13) 0.064(12) Uani 1.000000 .
C13A C 0.587(3) 0.690(3) 0.6394(14) 0.067(13) Uani 1.000000 .
C14A C 0.456(4) 1.021(3) 0.9077(13) 0.078(14) Uani 1.000000 .
O1AA O 0.4090(19) 0.134(3) 0.2214(15) 0.123(16) Uani 1.000000 .
O16A O 1.062(3) 0.087(3) 0.1515(13) 0.131(15) Uani 1.000000 .
C17A C -0.029(2) 0.786(3) 0.7284(12) 0.053(11) Uani 1.000000 .
C18A C 0.353(3) 1.280(3) 0.5183(13) 0.059(11) Uani 1.000000 .
C19A C 0.471(2) 0.960(3) 0.3900(15) 0.079(15) Uani 1.000000 .
C20A C 0.060(4) 1.132(3) 0.9378(18) 0.103(18) Uani 1.000000 .
C1C C 0.169(4) 0.611(3) 1.1817(18) 0.12(2) Uani 1.000000 .
C5C C 0.593(3) 0.770(5) 0.949(2) 0.12(3) Uani 1.000000 .
C2C C 0.438(3) 1.330(3) 0.5462(14) 0.087(17) Uani 1.000000 .
C10C C 0.702(4) 0.803(4) 1.019(2) 0.12(2) Uani 1.000000 .
C19C C 0.706(4) 0.924(6) 0.925(2) 0.17(3) Uani 1.000000 .
O1D O 0.504(3) 0.439(4) 0.8472(14) 0.20(3) Uani 1.000000 .
C12D C 0.045(4) 1.097(4) 0.9902(17) 0.13(3) Uani 1.000000 .
O12E O 0.954(4) 0.694(3) 0.460(2) 0.17(2) Uani 1.000000 .
O1X O 0.821(9) 0.655(7) 0.204(3) 0.73(13) Uani 1.000000 .
O1A1 O 0.4752(14) 0.5005(13) 0.9312(9) 0.037(6) Uani 1.000000 .
H8B H 0.363(2) 0.432(2) 1.1456(13) 0.044(10) Uiso 1.000000 R
H17 H 0.363(2) 0.276(3) 1.1791(11) 0.061(13) Uiso 1.000000 R
H17B H 0.218(2) 0.222(3) 1.2162(12) 0.057(11) Uiso 1.000000 R
H74 H 0.073(2) 0.466(3) 1.2006(12) 0.068(14) Uiso 1.000000 R
H20c H 0.687(2) 0.657(2) 0.6994(15) 0.058(12) Uiso 1.000000 R
H7 H 0.822(3) 0.668(3) 0.6394(15) 0.081(15) Uiso 1.000000 R
H9A H 0.809(2) 0.690(2) 0.5371(13) 0.059(11) Uiso 1.000000 R
H83 H 0.512(2) 0.706(2) 0.5677(12) 0.053(11) Uiso 1.000000 R
H6A H 0.158(3) 0.327(2) 1.0865(12) 0.052(11) Uiso 1.000000 R
H70 H 0.005(2) 0.263(2) 1.0796(12) 0.044(10) Uiso 1.000000 R
H93 H -0.081(3) 0.302(2) 0.9967(13) 0.052(11) Uiso 1.000000 R
H66 H -0.020(2) 0.421(2) 0.9335(12) 0.051(11) Uiso 1.000000 R
H14A H 0.458(4) 0.964(3) 0.9265(13) 0.093(17) Uiso 1.000000 R
H19 H 0.557(3) 1.080(3) 0.9554(16) 0.077(14) Uiso 1.000000 R
H11A H 0.556(2) 1.216(3) 0.9017(18) 0.085(16) Uiso 1.000000 R
H15 H 0.478(3) 1.226(3) 0.8193(15) 0.067(12) Uiso 1.000000 R
H10A H 0.307(2) 1.135(3) 0.3824(12) 0.077(15) Uiso 1.000000 R
H19B H 0.438(3) 1.058(3) 0.3280(13) 0.077(16) Uiso 1.000000 R
H19A H 0.520(2) 0.927(3) 0.3674(15) 0.095(19) Uiso 1.000000 R
H23 H 0.479(3) 0.885(3) 0.4642(14) 0.077(15) Uiso 1.000000 R
H20a H 0.355(3) 0.832(3) 0.5563(13) 0.082(16) Uiso 1.000000 R
H20b H 0.429(3) 0.900(3) 0.5810(13) 0.082(16) Uiso 1.000000 R
H27 H 0.3313(19) 0.744(2) 0.7248(11) 0.061(10) Uiso 1.000000 R
H86 H 0.118(3) 1.111(3) 0.8608(15) 0.073(14) Uiso 1.000000 R
H87 H 0.101(3) 1.009(2) 1.0469(15) 0.070(12) Uiso 1.000000 R
H14 H 0.412(2) 1.212(3) 0.7188(13) 0.062(12) Uiso 1.000000 R
H1A H 0.0527(16) 0.536(2) 0.8660(11) 0.051(12) Uiso 1.000000 R
H2A H 0.187(2) 0.846(2) 1.0590(13) 0.054(12) Uiso 1.000000 R
H12a H 0.467(18) 0.694(3) 0.7701(18) 0.096(18) Uiso 1.000000 GR
H12b H 0.433(14) 0.611(12) 0.737(4) 0.096(18) Uiso 1.000000 GR
H12c H 0.549(6) 0.622(13) 0.745(6) 0.096(18) Uiso 1.000000 GR
H17a H -0.012(16) 0.838(4) 0.749(2) 0.079(16) Uiso 1.000000 GR
H17c H 0.023(11) 0.774(6) 0.698(5) 0.079(16) Uiso 1.000000 GR
H17d H -0.093(5) 0.798(9) 0.711(7) 0.079(16) Uiso 1.000000 GR
H20d H 0.030(4) 1.189(3) 0.9276(18) 0.12(2) Uiso 1.000000 R
H1Ca H 0.217(6) 0.640(18) 1.204(13) 0.18(3) Uiso 1.000000 GR
H1Cb H 0.13(2) 0.656(15) 1.157(2) 0.18(3) Uiso 1.000000 GR
H1Cc H 0.12(2) 0.582(5) 1.209(12) 0.18(3) Uiso 1.000000 GR
H5C H 0.587(3) 0.771(5) 0.908(2) 0.15(3) Uiso 1.000000 R
H2Ca H 0.434(16) 1.317(18) 0.588(2) 0.13(3) Uiso 1.000000 GR
H2Cb H 0.503(3) 1.309(15) 0.529(10) 0.13(3) Uiso 1.000000 GR
H2Cc H 0.428(13) 1.394(3) 0.538(12) 0.13(3) Uiso 1.000000 GR
H10b H 0.650(7) 0.81(3) 1.050(3) 0.18(3) Uiso 1.000000 GR
H10c H 0.73(3) 0.742(10) 1.017(7) 0.18(3) Uiso 1.000000 GR
H10d H 0.76(2) 0.843(17) 1.026(9) 0.18(3) Uiso 1.000000 GR
H19c H 0.77(2) 0.908(7) 0.90(2) 0.26(5) Uiso 1.000000 GR
H19d H 0.657(18) 0.95(2) 0.90(2) 0.26(5) Uiso 1.000000 GR
H19e H 0.72(4) 0.966(17) 0.954(2) 0.26(5) Uiso 1.000000 GR
H12D H -0.008(4) 1.121(4) 1.0156(17) 0.16(3) Uiso 1.000000 R


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 N29 2.44(2) . ?
Pb1 O31 2.489(16) . ?
Pb1 N72 2.33(3) . ?
Pb2 N16 2.43(2) . ?
Pb2 N81 2.37(2) . ?
Pb2 O11 2.519(18) . ?
Pb3 N38 2.51(2) . ?
Pb3 N41 2.53(3) . ?
Pb3 N50 2.49(3) . ?
Pb3 N65 2.63(3) . ?
Pb4 O31 2.39(2) . ?
Pb4 N34 2.43(2) . ?
Pb4 N44 2.56(3) . ?
Pb5 N35 2.35(3) . ?
Pb5 N46 2.61(3) . ?
Pb5 N67 2.50(3) . ?
Pb5 O11 2.477(18) . ?
C6 C79 1.42(4) . ?
C6 N81 1.35(4) . ?
C6 C14 1.51(4) . ?
C7 C20B 1.29(5) . ?
C7 C9A 1.44(4) . ?
O8 N9 1.24(3) . ?
N9 O61 1.30(3) . ?
N9 O1AA 1.28(3) . ?
C12 N29 1.35(3) . ?
C12 C51 1.49(4) . ?
C12 C1A 1.44(4) . ?
N16 N35 1.32(3) . ?
N16 C3A 1.37(4) . ?
C17 C8B 1.48(5) . ?
C17 C17B 1.33(4) . ?
O18 C51 1.29(4) . ?
C20 C62 1.40(5) . ?
C20 C3A 1.50(4) . ?
C23 C8A 1.55(5) . ?
C23 C19A 1.37(4) . ?
N27 C71 1.39(4) . ?
N27 N13B 1.31(4) . ?
N29 N34 1.32(3) . ?
O31 C64 1.30(4) . ?
C32 N41 1.34(4) . ?
C32 C87 1.36(5) . ?
C32 C4A 1.58(5) . ?
O33 C71 1.20(4) . ?
N34 C76 1.40(4) . ?
N35 C62 1.39(4) . ?
N38 N72 1.39(4) . ?
N38 C4A 1.32(4) . ?
N41 C86 1.36(5) . ?
N43 N44 1.39(4) . ?
N43 C64 1.28(3) . ?
N44 C82 1.33(4) . ?
N46 C8A 1.37(4) . ?
N46 C10A 1.37(4) . ?
N48 O57 1.28(4) . ?
N48 O94 1.23(4) . ?
N48 O16A 1.24(4) . ?
N49 N90 1.33(3) . ?
N49 C5A 1.31(4) . ?
N50 N81 1.34(3) . ?
N50 C92 1.40(4) . ?
C51 N90 1.33(4) . ?
O52 N10B 1.28(3) . ?
O53 N18B 1.21(4) . ?
N54 C78 1.34(4) . ?
N54 C6A 1.31(4) . ?
N56 N67 1.39(3) . ?
N56 C79 1.30(4) . ?
C59 C64 1.51(4) . ?
C59 N72 1.32(4) . ?
C59 C2A 1.40(5) . ?
C62 C8A 1.41(4) . ?
N65 C16B 1.30(4) . ?
N65 C14A 1.41(4) . ?
C66 C78 1.35(4) . ?
C66 C93 1.45(4) . ?
N67 C18A 1.33(4) . ?
C70 C93 1.37(4) . ?
C70 C6A 1.39(4) . ?
C71 C3A 1.44(4) . ?
C74 C11B 1.40(4) . ?
C74 C12B 1.47(5) . ?
C76 C78 1.41(4) . ?
C76 C1A 1.39(4) . ?
C79 O11 1.26(3) . ?
C82 C11B 1.39(5) . ?
C82 C1C 1.31(6) . ?
C83 C88 1.37(4) . ?
C83 C13A 1.36(4) . ?
C86 C20A 1.30(5) . ?
C87 C12D 1.32(5) . ?
C88 C9A 1.38(4) . ?
C88 C18A 1.45(4) 2_676 ?
C92 C14 1.35(4) . ?
C92 C16B 1.50(4) . ?
C15 C16B 1.35(4) . ?
C15 C11A 1.30(4) . ?
C19 C11A 1.37(5) . ?
C19 C14A 1.43(5) . ?
O7B C5C 0.94(6) . ?
C8B C11B 1.38(4) . ?
O9B N10B 1.30(4) . ?
N10B O4B 1.22(4) . ?
C12B C17B 1.39(4) . ?
C12B C5A 1.43(4) 2_567 ?
N13B C15B 1.30(4) . ?
C15B C12A 1.55(4) . ?
C15B C13A 1.54(5) . ?
N18B O1D 1.26(4) . ?
N18B O1A1 1.29(4) . ?
C19B C10A 1.45(5) . ?
C19B C19A 1.43(6) . ?
C20B C13A 1.38(4) . ?
C2A C4A 1.35(4) . ?
C5A C17A 1.56(4) . ?
N7A C5C 1.36(6) . ?
N7A C10C 1.58(5) . ?
N7A C19C 1.70(8) . ?
C18A C2C 1.59(5) . ?
C20A C12D 1.31(5) . ?

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
O31 Pb1 N29 71.1(6) . . ?
N72 Pb1 N29 87.7(8) . . ?
N72 Pb1 O31 68.1(8) . . ?
N81 Pb2 N16 85.5(8) . . ?
O11 Pb2 N16 68.4(8) . . ?
O11 Pb2 N81 67.4(6) . . ?
N41 Pb3 N38 63.6(9) . . ?
N50 Pb3 N38 135.6(9) . . ?
N50 Pb3 N41 80.6(8) . . ?
N65 Pb3 N38 80.8(10) . . ?
N65 Pb3 N41 72.9(9) . . ?
N65 Pb3 N50 63.4(8) . . ?
N34 Pb4 O31 71.2(8) . . ?
N44 Pb4 O31 64.3(7) . . ?
N44 Pb4 N34 96.1(8) . . ?
N46 Pb5 N35 65.7(8) . . ?
N67 Pb5 N35 86.3(10) . . ?
N67 Pb5 N46 81.2(9) . . ?
O11 Pb5 N35 67.5(8) . . ?
O11 Pb5 N46 121.7(7) . . ?
O11 Pb5 N67 62.9(7) . . ?
N81 C6 C79 122(3) . . ?
C14 C6 C79 131(3) . . ?
C14 C6 N81 107(2) . . ?
C9A C7 C20B 122(4) . . ?
O61 N9 O8 122(3) . . ?
O1AA N9 O8 123(3) . . ?
O1AA N9 O61 114(3) . . ?
C51 C12 N29 116(3) . . ?
C1A C12 N29 109(2) . . ?
C1A C12 C51 135(3) . . ?
N35 N16 Pb2 123.4(18) . . ?
C3A N16 Pb2 123.5(17) . . ?
C3A N16 N35 113(2) . . ?
C17B C17 C8B 116(3) . . ?
C3A C20 C62 103(3) . . ?
C19A C23 C8A 119(4) . . ?
N13B N27 C71 121(3) . . ?
C12 N29 Pb1 126.6(18) . . ?
N34 N29 Pb1 123.8(16) . . ?
N34 N29 C12 109(2) . . ?
Pb4 O31 Pb1 115.9(9) . . ?
C64 O31 Pb1 116.3(16) . . ?
C64 O31 Pb4 113.1(16) . . ?
C87 C32 N41 125(4) . . ?
C4A C32 N41 110(3) . . ?
C4A C32 C87 124(3) . . ?
N29 N34 Pb4 126.6(18) . . ?
C76 N34 Pb4 123.6(18) . . ?
C76 N34 N29 109(2) . . ?
N16 N35 Pb5 129.4(17) . . ?
C62 N35 Pb5 122.4(17) . . ?
C62 N35 N16 107(3) . . ?
N72 N38 Pb3 127(2) . . ?
C4A N38 Pb3 122(2) . . ?
C4A N38 N72 107(2) . . ?
C32 N41 Pb3 125(2) . . ?
C86 N41 Pb3 124(2) . . ?
C86 N41 C32 111(3) . . ?
C64 N43 N44 111(3) . . ?
N43 N44 Pb4 113.5(15) . . ?
C82 N44 Pb4 130(2) . . ?
C82 N44 N43 115(3) . . ?
C8A N46 Pb5 115.5(19) . . ?
C10A N46 Pb5 125(2) . . ?
C10A N46 C8A 118(3) . . ?
O94 N48 O57 124(2) . . ?
O16A N48 O57 112(3) . . ?
O16A N48 O94 122(4) . . ?
C5A N49 N90 123(2) . . ?
N81 N50 Pb3 123.4(19) . . ?
C92 N50 Pb3 116.0(18) . . ?
C92 N50 N81 107(2) . . ?
O18 C51 C12 118(3) . . ?
N90 C51 C12 123(3) . . ?
N90 C51 O18 119(3) . . ?
C6A N54 C78 121(3) . . ?
C79 N56 N67 112(2) . . ?
N72 C59 C64 118(3) . . ?
C2A C59 C64 132(3) . . ?
C2A C59 N72 109(3) . . ?
N35 C62 C20 111(3) . . ?
C8A C62 C20 129(3) . . ?
C8A C62 N35 119(3) . . ?
N43 C64 O31 131(3) . . ?
C59 C64 O31 115(2) . . ?
C59 C64 N43 114(3) . . ?
C16B N65 Pb3 120.1(19) . . ?
C14A N65 Pb3 122(3) . . ?
C14A N65 C16B 117(3) . . ?
C93 C66 C78 121(3) . . ?
N56 N67 Pb5 116.9(18) . . ?
C18A N67 Pb5 129(2) . . ?
C18A N67 N56 114(3) . . ?
C6A C70 C93 117(3) . . ?
O33 C71 N27 119(3) . . ?
C3A C71 N27 119(3) . . ?
C3A C71 O33 122(3) . . ?
N38 N72 Pb1 130.9(19) . . ?
C59 N72 Pb1 120(2) . . ?
C59 N72 N38 108(3) . . ?
C12B C74 C11B 121(3) . . ?
C78 C76 N34 117(2) . . ?
C1A C76 N34 108(3) . . ?
C1A C76 C78 134(3) . . ?
C66 C78 N54 119(2) . . ?
C76 C78 N54 120(3) . . ?
C76 C78 C66 121(3) . . ?
N56 C79 C6 116(3) . . ?
O11 C79 C6 117(3) . . ?
O11 C79 N56 127(3) . . ?
C6 N81 Pb2 115.5(18) . . ?
N50 N81 Pb2 133.2(19) . . ?
N50 N81 C6 111(2) . . ?
C11B C82 N44 119(3) . . ?
C1C C82 N44 124(4) . . ?
C1C C82 C11B 117(3) . . ?
C13A C83 C88 120(3) . . ?
C20A C86 N41 126(4) . . ?
C12D C87 C32 118(4) . . ?
C9A C88 C83 119(3) . . ?
C18A C88 C83 120(3) 2_676 . ?
C18A C88 C9A 120(3) 2_676 . ?
C51 N90 N49 118(2) . . ?
C14 C92 N50 112(2) . . ?
C16B C92 N50 117(2) . . ?
C16B C92 C14 131(3) . . ?
C70 C93 C66 118(3) . . ?
Pb5 O11 Pb2 112.8(8) . . ?
C79 O11 Pb2 115.1(16) . . ?
C79 O11 Pb5 114.8(18) . . ?
C92 C14 C6 102(3) . . ?
C11A C15 C16B 122(4) . . ?
C14A C19 C11A 119(3) . . ?
C11B C8B C17 122(3) . . ?
O9B N10B O52 111(3) . . ?
O4B N10B O52 126(3) . . ?
O4B N10B O9B 123(3) . . ?
C82 C11B C74 119(3) . . ?
C8B C11B C74 118(3) . . ?
C8B C11B C82 122(3) . . ?
C17B C12B C74 117(3) . . ?
C5A C12B C74 119(3) 2_567 . ?
C5A C12B C17B 124(3) 2_567 . ?
C15B N13B N27 119(3) . . ?
C12A C15B N13B 125(3) . . ?
C13A C15B N13B 117(3) . . ?
C13A C15B C12A 118(3) . . ?
C92 C16B N65 114(3) . . ?
C15 C16B N65 123(3) . . ?
C15 C16B C92 123(3) . . ?
C12B C17B C17 126(4) . . ?
O1D N18B O53 118(4) . . ?
O1A1 N18B O53 123(3) . . ?
O1A1 N18B O1D 119(4) . . ?
C19A C19B C10A 121(3) . . ?
C13A C20B C7 120(3) . . ?
C76 C1A C12 104(2) . . ?
C4A C2A C59 105(3) . . ?
C20 C3A N16 105(3) . . ?
C71 C3A N16 119(3) . . ?
C71 C3A C20 135(3) . . ?
N38 C4A C32 118(3) . . ?
C2A C4A C32 130(3) . . ?
C2A C4A N38 111(3) . . ?
C12B C5A N49 117(3) 2_567 . ?
C17A C5A N49 121(3) . . ?
C17A C5A C12B 121(3) . 2_567 ?
C70 C6A N54 124(3) . . ?
C10C N7A C5C 106(4) . . ?
C19C N7A C5C 138(4) . . ?
C19C N7A C10C 115(4) . . ?
N46 C8A C23 121(3) . . ?
C62 C8A C23 122(3) . . ?
C62 C8A N46 116(3) . . ?
C88 C9A C7 117(3) . . ?
C19B C10A N46 122(3) . . ?
C19 C11A C15 119(4) . . ?
C15B C13A C83 117(3) . . ?
C20B C13A C83 120(3) . . ?
C20B C13A C15B 122(3) . . ?
C19 C14A N65 118(3) . . ?
C88 C18A N67 120(3) 2_676 . ?
C2C C18A N67 121(3) . . ?
C2C C18A C88 119(3) . 2_676 ?
C19B C19A C23 117(4) . . ?
C12D C20A C86 119(5) . . ?
N7A C5C O7B 146(6) . . ?
C20A C12D C87 119(5) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
