#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:37:51 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180479 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/48/7214801.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_7214801
loop_
_publ_author_name
'Wang, Yu-Ling'
'Fu, Jiang-Hong'
'Jiang, Yun-Liang'
'Fu, Yang'
'Xiong, Wei-Lu'
'Liu, Qing-Yan'
_publ_section_title
;
 Metal oxo cluster-based coordination polymers with rigid
 1,4-naphthalenedicarboxylate and semirigid 1,3-di(4-pyridyl)propane
 ligands: syntheses, structural topologies, and luminescent properties
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              7245
_journal_paper_doi               10.1039/c2ce25938a
_journal_volume                  14
_journal_year                    2012
_chemical_formula_sum            'C61 H38 N2 O17 Pb5'
_chemical_formula_weight         2106.88
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.3770(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   30.2764(6)
_cell_length_b                   12.1038(3)
_cell_length_c                   30.7311(7)
_cell_measurement_reflns_used    8258
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.25
_cell_measurement_theta_min      2.21
_cell_volume                     11192.0(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0617
_diffrn_reflns_av_sigmaI/netI    0.0592
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            49680
_diffrn_reflns_theta_full        27.65
_diffrn_reflns_theta_max         27.65
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    15.069
_exptl_absorpt_correction_T_max  0.2650
_exptl_absorpt_correction_T_min  0.0796
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.501
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bolck
_exptl_crystal_F_000             7712
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.31
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.581
_refine_diff_density_min         -1.634
_refine_diff_density_rms         0.187
_refine_ls_extinction_coef       0.000026(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         12994
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0611
_refine_ls_R_factor_gt           0.0368
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0253P)²+10.6517P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0674
_refine_ls_wR_factor_ref         0.0742
_reflns_number_gt                9611
_reflns_number_total             12994
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2ce25938a.txt
_cod_data_source_block           jyl126_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Multi-scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7214801
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.095818(8) -0.00541(2) 0.246779(9) 0.02844(7) Uani 1 1 d .
Pb2 Pb 0.093968(9) -0.30162(2) 0.258833(10) 0.03536(8) Uani 1 1 d .
Pb3 Pb 0.004465(8) -0.16029(2) 0.308609(8) 0.02369(7) Uani 1 1 d .
Pb4 Pb 0.110176(9) 0.05945(2) 0.387724(9) 0.03375(8) Uani 1 1 d .
Pb5 Pb 0.243092(10) 0.17048(3) 0.430382(9) 0.03712(8) Uani 1 1 d .
N1 N 0.2679(3) -0.0247(6) 0.4570(2) 0.057(2) Uani 1 1 d .
N2 N 0.5342(2) -0.4089(7) 0.4239(2) 0.059(2) Uani 1 1 d .
C1 C 0.2153(2) -0.1906(7) 0.2190(2) 0.0400(19) Uani 1 1 d .
C2 C 0.2026(2) -0.2800(7) 0.1933(2) 0.042(2) Uani 1 1 d .
H2A H 0.1725 -0.2961 0.1871 0.051 Uiso 1 1 calc R
C3 C 0.2340(2) -0.3478(7) 0.1760(2) 0.042(2) Uani 1 1 d .
H3A H 0.2240 -0.4063 0.1579 0.051 Uiso 1 1 calc R
C4 C 0.2790(2) -0.3307(7) 0.1850(2) 0.043(2) Uani 1 1 d .
C5 C 0.2936(2) -0.2397(8) 0.2139(2) 0.048(2) Uani 1 1 d .
C6 C 0.3394(3) -0.2144(10) 0.2245(3) 0.072(3) Uani 1 1 d .
H6A H 0.3608 -0.2571 0.2129 0.086 Uiso 1 1 calc R
C7 C 0.3519(3) -0.1309(11) 0.2507(3) 0.079(4) Uani 1 1 d .
H7A H 0.3820 -0.1179 0.2582 0.095 Uiso 1 1 calc R
C8 C 0.3210(3) -0.0618(11) 0.2675(3) 0.083(4) Uani 1 1 d .
H8A H 0.3306 -0.0029 0.2856 0.099 Uiso 1 1 calc R
C9 C 0.2764(3) -0.0812(9) 0.2571(3) 0.061(3) Uani 1 1 d .
H9A H 0.2558 -0.0350 0.2682 0.073 Uiso 1 1 calc R
C10 C 0.2615(2) -0.1704(8) 0.2298(2) 0.046(2) Uani 1 1 d .
C11 C 0.1804(3) -0.1114(8) 0.2321(3) 0.0416(19) Uani 1 1 d .
C12 C 0.3095(2) -0.4038(8) 0.1628(2) 0.048(2) Uani 1 1 d .
C13 C 0.1158(2) -0.1631(6) 0.1134(2) 0.0317(16) Uani 1 1 d .
C14 C 0.1462(3) -0.0854(7) 0.1052(3) 0.051(2) Uani 1 1 d .
H14A H 0.1530 -0.0289 0.1253 0.061 Uiso 1 1 calc R
C15 C 0.1675(3) -0.0891(8) 0.0668(3) 0.060(3) Uani 1 1 d .
H15A H 0.1895 -0.0378 0.0628 0.072 Uiso 1 1 calc R
C16 C 0.1562(3) -0.1670(8) 0.0355(2) 0.049(2) Uani 1 1 d .
C17 C 0.1239(3) -0.2481(7) 0.0420(2) 0.0422(19) Uani 1 1 d .
C18 C 0.1123(4) -0.3313(9) 0.0113(3) 0.070(3) Uani 1 1 d .
H18A H 0.1265 -0.3346 -0.0140 0.084 Uiso 1 1 calc R
C19 C 0.0809(5) -0.4072(10) 0.0178(3) 0.109(5) Uani 1 1 d .
H19A H 0.0737 -0.4621 -0.0030 0.131 Uiso 1 1 calc R
C20 C 0.0589(4) -0.4031(10) 0.0559(3) 0.096(4) Uani 1 1 d .
H20A H 0.0371 -0.4548 0.0603 0.115 Uiso 1 1 calc R
C21 C 0.0699(3) -0.3233(7) 0.0859(3) 0.057(3) Uani 1 1 d .
H21A H 0.0547 -0.3200 0.1106 0.068 Uiso 1 1 calc R
C22 C 0.1032(2) -0.2456(6) 0.0812(2) 0.0340(17) Uani 1 1 d .
C23 C 0.0977(2) -0.1598(6) 0.1568(2) 0.0292(16) Uani 1 1 d .
C24 C 0.1811(4) -0.1662(12) -0.0043(3) 0.079(4) Uani 1 1 d .
C25 C 0.0114(2) 0.2211(5) 0.3161(2) 0.0247(15) Uani 1 1 d .
C26 C 0.0458(2) 0.2846(5) 0.3051(3) 0.0360(18) Uani 1 1 d .
H26A H 0.0721 0.2511 0.2989 0.043 Uiso 1 1 calc R
C27 C 0.0419(2) 0.4002(6) 0.3031(3) 0.0373(18) Uani 1 1 d .
H27A H 0.0655 0.4420 0.2953 0.045 Uiso 1 1 calc R
C28 C 0.0047(2) 0.4513(5) 0.3121(2) 0.0282(15) Uani 1 1 d .
C29 C -0.0309(2) 0.3894(5) 0.3270(2) 0.0253(15) Uani 1 1 d .
C30 C -0.0683(3) 0.4404(7) 0.3424(3) 0.044(2) Uani 1 1 d .
H30A H -0.0708 0.5170 0.3424 0.053 Uiso 1 1 calc R
C31 C -0.1008(3) 0.3762(8) 0.3575(3) 0.057(2) Uani 1 1 d .
H31A H -0.1253 0.4102 0.3675 0.069 Uiso 1 1 calc R
C32 C -0.0981(3) 0.2623(8) 0.3579(3) 0.059(3) Uani 1 1 d .
H32A H -0.1206 0.2205 0.3681 0.070 Uiso 1 1 calc R
C33 C -0.0624(3) 0.2114(7) 0.3434(2) 0.0406(19) Uani 1 1 d .
H33A H -0.0611 0.1346 0.3434 0.049 Uiso 1 1 calc R
C34 C -0.0274(2) 0.2724(5) 0.3283(2) 0.0248(15) Uani 1 1 d .
C35 C 0.0169(2) 0.0996(5) 0.3123(2) 0.0256(15) Uani 1 1 d .
C36 C 0.0036(3) 0.5747(7) 0.3034(3) 0.050(2) Uani 1 1 d .
C37 C 0.1408(3) 0.4476(9) 0.3890(3) 0.062(3) Uani 1 1 d .
C38 C 0.1020(3) 0.4889(8) 0.4008(3) 0.062(3) Uani 1 1 d .
H38A H 0.0817 0.4411 0.4115 0.074 Uiso 1 1 calc R
C39 C 0.0919(3) 0.6021(9) 0.3972(3) 0.065(3) Uani 1 1 d .
H39A H 0.0660 0.6280 0.4074 0.078 Uiso 1 1 calc R
C40 C 0.1192(3) 0.6752(8) 0.3791(3) 0.055(3) Uani 1 1 d .
C41 C 0.1596(3) 0.6354(8) 0.3664(2) 0.051(2) Uani 1 1 d .
C42 C 0.1896(3) 0.7100(8) 0.3489(3) 0.053(2) Uani 1 1 d .
H42A H 0.1824 0.7845 0.3460 0.063 Uiso 1 1 calc R
C43 C 0.2290(3) 0.6730(10) 0.3363(3) 0.069(3) Uani 1 1 d .
H43A H 0.2477 0.7207 0.3233 0.083 Uiso 1 1 calc R
C44 C 0.2407(3) 0.5606(10) 0.3434(3) 0.075(3) Uani 1 1 d .
H44A H 0.2683 0.5362 0.3367 0.090 Uiso 1 1 calc R
C45 C 0.2128(3) 0.4879(10) 0.3596(3) 0.069(3) Uani 1 1 d .
H45A H 0.2205 0.4136 0.3621 0.083 Uiso 1 1 calc R
C46 C 0.1720(3) 0.5242(8) 0.3726(3) 0.054(2) Uani 1 1 d .
C47 C 0.1479(5) 0.3220(11) 0.3941(4) 0.084(4) Uani 1 1 d .
C48 C 0.1047(3) 0.7925(8) 0.3699(3) 0.054(2) Uani 1 1 d .
C49 C 0.2896(4) -0.0321(8) 0.4961(3) 0.077(3) Uani 1 1 d .
H49A H 0.2895 0.0281 0.5148 0.093 Uiso 1 1 calc R
C50 C 0.3127(3) -0.1253(8) 0.5106(3) 0.062(3) Uani 1 1 d .
H50A H 0.3274 -0.1261 0.5388 0.075 Uiso 1 1 calc R
C51 C 0.3147(3) -0.2164(7) 0.4849(3) 0.049(2) Uani 1 1 d .
C52 C 0.2900(4) -0.2090(9) 0.4447(3) 0.077(3) Uani 1 1 d .
H52A H 0.2886 -0.2690 0.4256 0.093 Uiso 1 1 calc R
C53 C 0.2676(4) -0.1138(9) 0.4325(3) 0.078(3) Uani 1 1 d .
H53A H 0.2512 -0.1120 0.4051 0.093 Uiso 1 1 calc R
C54 C 0.3415(3) -0.3160(7) 0.4997(3) 0.060(3) Uani 1 1 d .
H54A H 0.3243 -0.3824 0.4925 0.073 Uiso 1 1 calc R
H54B H 0.3490 -0.3136 0.5312 0.073 Uiso 1 1 calc R
C55 C 0.3850(4) -0.3188(15) 0.4767(4) 0.141(7) Uani 1 1 d .
H55A H 0.3767 -0.3451 0.4471 0.169 Uiso 1 1 calc R
H55B H 0.3946 -0.2428 0.4742 0.169 Uiso 1 1 calc R
C56 C 0.4189(4) -0.3741(19) 0.4921(5) 0.171(9) Uani 1 1 d .
H56A H 0.4086 -0.4480 0.4979 0.205 Uiso 1 1 calc R
H56B H 0.4294 -0.3418 0.5203 0.205 Uiso 1 1 calc R
C57 C 0.5261(4) -0.3139(10) 0.4411(4) 0.087(4) Uani 1 1 d .
H57A H 0.5454 -0.2553 0.4386 0.104 Uiso 1 1 calc R
C58 C 0.4887(5) -0.2985(13) 0.4632(4) 0.119(5) Uani 1 1 d .
H58A H 0.4834 -0.2303 0.4756 0.142 Uiso 1 1 calc R
C59 C 0.4590(3) -0.3863(15) 0.4667(3) 0.096(5) Uani 1 1 d .
C60 C 0.4681(4) -0.4812(14) 0.4473(4) 0.109(5) Uani 1 1 d .
H60A H 0.4491 -0.5414 0.4479 0.131 Uiso 1 1 calc R
C61 C 0.5053(4) -0.4890(11) 0.4267(3) 0.083(3) Uani 1 1 d .
H61A H 0.5108 -0.5560 0.4135 0.099 Uiso 1 1 calc R
O1 O 0.04794(13) -0.1571(3) 0.25225(14) 0.0209(9) Uani 1 1 d .
O2 O 0.15005(16) -0.1525(4) 0.25266(16) 0.0386(13) Uani 1 1 d .
O3 O 0.1816(2) -0.0139(6) 0.2211(2) 0.072(2) Uani 1 1 d .
O4 O 0.34846(18) -0.4219(6) 0.18008(17) 0.0609(18) Uani 1 1 d .
O5 O 0.29541(17) -0.4442(5) 0.12595(17) 0.0531(16) Uani 1 1 d .
O6 O 0.08841(19) -0.0651(4) 0.17077(16) 0.0460(14) Uani 1 1 d .
O7 O 0.09474(17) -0.2484(4) 0.17657(15) 0.0395(12) Uani 1 1 d .
O8 O 0.2076(3) -0.2436(15) -0.0071(3) 0.225(9) Uani 1 1 d .
O9 O 0.1762(4) -0.1035(6) -0.0320(2) 0.118(4) Uani 1 1 d .
O10 O -0.01461(18) 0.0428(4) 0.29626(18) 0.0471(15) Uani 1 1 d .
O11 O 0.05435(16) 0.0570(4) 0.32375(16) 0.0363(12) Uani 1 1 d .
O12 O 0.0384(3) 0.6290(4) 0.3088(2) 0.074(2) Uani 1 1 d .
O13 O -0.0339(3) 0.6166(6) 0.2930(3) 0.106(3) Uani 1 1 d .
O14 O 0.1144(3) 0.2634(7) 0.3942(3) 0.095(3) Uani 1 1 d .
O15 O 0.1864(3) 0.2928(9) 0.3989(4) 0.186(6) Uani 1 1 d .
O16 O 0.0933(3) 0.8485(6) 0.4002(2) 0.083(2) Uani 1 1 d .
O17 O 0.10143(19) 0.8246(5) 0.33067(19) 0.0613(18) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Pb1 O2 80.72(15) . .
O1 Pb1 O6 81.09(17) . .
O2 Pb1 O6 80.91(17) . .
O1 Pb1 O10 70.87(14) . 2
O2 Pb1 O10 139.83(16) . 2
O6 Pb1 O10 67.37(18) . 2
O1 Pb1 O3 126.08(17) . .
O2 Pb1 O3 49.42(18) . .
O6 Pb1 O3 73.0(2) . .
O10 Pb1 O3 133.4(2) 2 .
O1 Pb1 O4 122.45(16) . 4
O2 Pb1 O4 82.19(18) . 4
O6 Pb1 O4 148.07(17) . 4
O10 Pb1 O4 137.10(17) 2 4
O3 Pb1 O4 75.39(19) . 4
O1 Pb1 O11 79.59(14) . .
O2 Pb1 O11 118.92(15) . .
O6 Pb1 O11 149.24(16) . .
O10 Pb1 O11 83.73(16) 2 .
O3 Pb1 O11 137.64(18) . .
O4 Pb1 O11 62.28(14) 4 .
O1 Pb1 Pb2 36.99(9) . .
O2 Pb1 Pb2 43.73(12) . .
O6 Pb1 Pb2 78.59(12) . .
O10 Pb1 Pb2 103.87(10) 2 .
O3 Pb1 Pb2 91.02(14) . .
O4 Pb1 Pb2 106.68(14) 4 .
O11 Pb1 Pb2 99.34(9) . .
O1 Pb2 O13 81.3(2) . 2_545
O1 Pb2 O2 81.35(15) . .
O13 Pb2 O2 133.9(2) 2_545 .
O1 Pb2 O12 82.27(18) . 1_545
O13 Pb2 O12 76.7(2) 2_545 1_545
O2 Pb2 O12 141.71(18) . 1_545
O1 Pb2 O7 77.97(16) . .
O13 Pb2 O7 64.0(2) 2_545 .
O2 Pb2 O7 70.69(16) . .
O12 Pb2 O7 138.0(2) 1_545 .
O1 Pb2 O17 67.76(15) . 1_545
O13 Pb2 O17 138.2(2) 2_545 1_545
O2 Pb2 O17 69.77(18) . 1_545
O12 Pb2 O17 72.0(2) 1_545 1_545
O7 Pb2 O17 130.50(17) . 1_545
O1 Pb2 Pb1 39.45(10) . .
O13 Pb2 Pb1 110.4(2) 2_545 .
O2 Pb2 Pb1 41.91(11) . .
O12 Pb2 Pb1 114.17(13) 1_545 .
O7 Pb2 Pb1 69.73(11) . .
O17 Pb2 Pb1 61.03(12) 1_545 .
O1 Pb2 Pb3 36.07(11) . .
O13 Pb2 Pb3 86.06(17) 2_545 .
O2 Pb2 Pb3 103.52(11) . .
O12 Pb2 Pb3 48.34(13) 1_545 .
O7 Pb2 Pb3 111.97(11) . .
O17 Pb2 Pb3 52.37(12) 1_545 .
Pb1 Pb2 Pb3 66.474(7) . .
O1 Pb3 O1 77.80(16) . 2
O1 Pb3 O10 90.62(17) . .
O1 Pb3 O10 74.90(15) 2 .
O1 Pb3 O12 76.73(17) . 1_545
O1 Pb3 O12 103.87(19) 2 1_545
O10 Pb3 O12 167.19(19) . 1_545
O1 Pb3 O17 62.15(15) . 1_545
O1 Pb3 O17 139.78(16) 2 1_545
O10 Pb3 O17 107.35(17) . 1_545
O12 Pb3 O17 65.1(2) 1_545 1_545
O1 Pb3 O13 98.12(18) . 1_545
O1 Pb3 O13 70.30(18) 2 1_545
O10 Pb3 O13 141.24(18) . 1_545
O12 Pb3 O13 45.0(2) 1_545 1_545
O17 Pb3 O13 110.12(19) 1_545 1_545
O1 Pb3 Pb3 39.17(10) . 2
O1 Pb3 Pb3 38.66(10) 2 2
O10 Pb3 Pb3 81.92(13) . 2
O12 Pb3 Pb3 89.32(14) 1_545 2
O17 Pb3 Pb3 101.15(12) 1_545 2
O13 Pb3 Pb3 81.53(16) 1_545 2
O1 Pb3 Pb2 35.03(10) . .
O1 Pb3 Pb2 98.18(10) 2 .
O10 Pb3 Pb2 123.56(14) . .
O12 Pb3 Pb2 43.66(14) 1_545 .
O17 Pb3 Pb2 45.98(12) 1_545 .
O13 Pb3 Pb2 78.58(14) 1_545 .
Pb3 Pb3 Pb2 63.809(8) 2 .
O11 Pb4 O14 95.8(2) . .
O11 Pb4 O4 72.75(17) . 4
O14 Pb4 O4 87.3(3) . 4
O11 Pb4 O16 88.71(19) . 1_545
O14 Pb4 O16 163.8(3) . 1_545
O4 Pb4 O16 108.9(2) 4 1_545
O11 Pb4 N2 77.8(2) . 3_455
O14 Pb4 N2 82.1(3) . 3_455
O4 Pb4 N2 147.4(2) 4 3_455
O16 Pb4 N2 83.7(2) 1_545 3_455
O11 Pb4 O5 118.79(16) . 4
O14 Pb4 O5 89.1(3) . 4
O4 Pb4 O5 46.52(16) 4 4
O16 Pb4 O5 102.3(2) 1_545 4
N2 Pb4 O5 162.1(2) 3_455 4
O15 Pb5 O5 78.3(4) . 4
O15 Pb5 O8 74.8(5) . 6_556
O5 Pb5 O8 123.1(3) 4 6_556
O15 Pb5 O9 79.1(3) . 6_556
O5 Pb5 O9 78.4(2) 4 6_556
O8 Pb5 O9 48.0(3) 6_556 6_556
O15 Pb5 N1 149.9(4) . .
O5 Pb5 N1 78.6(2) 4 .
O8 Pb5 N1 102.6(5) 6_556 .
O9 Pb5 N1 77.6(2) 6_556 .
O15 Pb5 O8 113.4(5) . 4
O5 Pb5 O8 166.3(4) 4 4
O8 Pb5 O8 57.2(4) 6_556 4
O9 Pb5 O8 96.3(3) 6_556 4
N1 Pb5 O8 88.0(4) . 4
C49 N1 C53 116.1(8) . .
C49 N1 Pb5 116.9(6) . .
C53 N1 Pb5 125.9(6) . .
C57 N2 C61 117.9(10) . .
C57 N2 Pb4 120.3(7) . 3_545
C61 N2 Pb4 121.8(8) . 3_545
C2 C1 C10 118.6(7) . .
C2 C1 C11 119.5(7) . .
C10 C1 C11 121.7(7) . .
C1 C2 C3 121.3(7) . .
C1 C2 H2A 119.3 . .
C3 C2 H2A 119.3 . .
C4 C3 C2 122.2(8) . .
C4 C3 H3A 118.9 . .
C2 C3 H3A 118.9 . .
C3 C4 C5 117.6(7) . .
C3 C4 C12 117.8(7) . .
C5 C4 C12 124.5(7) . .
C10 C5 C6 118.9(8) . .
C10 C5 C4 119.3(7) . .
C6 C5 C4 121.7(8) . .
C7 C6 C5 120.7(9) . .
C7 C6 H6A 119.7 . .
C5 C6 H6A 119.7 . .
C6 C7 C8 121.8(9) . .
C6 C7 H7A 119.1 . .
C8 C7 H7A 119.1 . .
C9 C8 C7 119.5(10) . .
C9 C8 H8A 120.3 . .
C7 C8 H8A 120.3 . .
C8 C9 C10 120.8(9) . .
C8 C9 H9A 119.6 . .
C10 C9 H9A 119.6 . .
C9 C10 C5 118.3(7) . .
C9 C10 C1 120.9(7) . .
C5 C10 C1 120.9(7) . .
O3 C11 O2 123.8(7) . .
O3 C11 C1 119.5(8) . .
O2 C11 C1 116.6(8) . .
O4 C12 O5 121.2(7) . .
O4 C12 C4 120.6(7) . .
O5 C12 C4 118.2(6) . .
C14 C13 C22 119.4(7) . .
C14 C13 C23 118.0(7) . .
C22 C13 C23 122.6(6) . .
C13 C14 C15 121.1(8) . .
C13 C14 H14A 119.4 . .
C15 C14 H14A 119.4 . .
C16 C15 C14 120.8(8) . .
C16 C15 H15A 119.6 . .
C14 C15 H15A 119.6 . .
C15 C16 C17 120.0(8) . .
C15 C16 C24 117.4(9) . .
C17 C16 C24 122.4(9) . .
C18 C17 C16 121.9(8) . .
C18 C17 C22 119.1(8) . .
C16 C17 C22 118.9(7) . .
C19 C18 C17 121.2(9) . .
C19 C18 H18A 119.4 . .
C17 C18 H18A 119.4 . .
C18 C19 C20 120.2(10) . .
C18 C19 H19A 119.9 . .
C20 C19 H19A 119.9 . .
C21 C20 C19 119.2(10) . .
C21 C20 H20A 120.4 . .
C19 C20 H20A 120.4 . .
C20 C21 C22 122.5(9) . .
C20 C21 H21A 118.8 . .
C22 C21 H21A 118.8 . .
C21 C22 C17 117.7(7) . .
C21 C22 C13 122.8(7) . .
C17 C22 C13 119.5(7) . .
O7 C23 O6 125.8(7) . .
O7 C23 C13 117.8(6) . .
O6 C23 C13 116.3(6) . .
O9 C24 O8 118.8(11) . .
O9 C24 C16 125.3(13) . .
O8 C24 C16 115.9(10) . .
C26 C25 C34 119.8(6) . .
C26 C25 C35 116.3(6) . .
C34 C25 C35 123.8(6) . .
C25 C26 C27 120.5(7) . .
C25 C26 H26A 119.8 . .
C27 C26 H26A 119.8 . .
C28 C27 C26 121.4(7) . .
C28 C27 H27A 119.3 . .
C26 C27 H27A 119.3 . .
C27 C28 C29 120.3(6) . .
C27 C28 C36 114.9(7) . .
C29 C28 C36 124.8(7) . .
C30 C29 C34 119.0(6) . .
C30 C29 C28 122.5(6) . .
C34 C29 C28 118.4(6) . .
C31 C30 C29 119.7(8) . .
C31 C30 H30A 120.2 . .
C29 C30 H30A 120.2 . .
C30 C31 C32 121.6(8) . .
C30 C31 H31A 119.2 . .
C32 C31 H31A 119.2 . .
C33 C32 C31 119.8(8) . .
C33 C32 H32A 120.1 . .
C31 C32 H32A 120.1 . .
C32 C33 C34 121.5(8) . .
C32 C33 H33A 119.2 . .
C34 C33 H33A 119.2 . .
C33 C34 C25 122.3(6) . .
C33 C34 C29 118.4(7) . .
C25 C34 C29 119.3(6) . .
O10 C35 O11 121.0(6) . .
O10 C35 C25 119.6(6) . .
O11 C35 C25 119.3(6) . .
O12 C36 O13 123.6(8) . .
O12 C36 C28 120.0(8) . .
O13 C36 C28 116.4(9) . .
C38 C37 C46 118.2(9) . .
C38 C37 C47 116.7(10) . .
C46 C37 C47 125.2(9) . .
C37 C38 C39 121.5(10) . .
C37 C38 H38A 119.2 . .
C39 C38 H38A 119.2 . .
C40 C39 C38 121.8(9) . .
C40 C39 H39A 119.1 . .
C38 C39 H39A 119.1 . .
C39 C40 C41 118.1(9) . .
C39 C40 C48 120.7(8) . .
C41 C40 C48 121.0(9) . .
C46 C41 C40 121.3(9) . .
C46 C41 C42 118.9(8) . .
C40 C41 C42 119.8(9) . .
C43 C42 C41 120.7(9) . .
C43 C42 H42A 119.7 . .
C41 C42 H42A 119.7 . .
C42 C43 C44 118.9(10) . .
C42 C43 H43A 120.6 . .
C44 C43 H43A 120.6 . .
C45 C44 C43 121.6(10) . .
C45 C44 H44A 119.2 . .
C43 C44 H44A 119.2 . .
C44 C45 C46 120.3(10) . .
C44 C45 H45A 119.8 . .
C46 C45 H45A 119.8 . .
C41 C46 C45 119.4(9) . .
C41 C46 C37 118.8(8) . .
C45 C46 C37 121.5(9) . .
O15 C47 O14 127.7(13) . .
O15 C47 C37 114.9(13) . .
O14 C47 C37 117.4(10) . .
O16 C48 O17 123.7(8) . .
O16 C48 C40 118.5(8) . .
O17 C48 C40 117.5(8) . .
N1 C49 C50 122.8(9) . .
N1 C49 H49A 118.6 . .
C50 C49 H49A 118.6 . .
C51 C50 C49 122.0(8) . .
C51 C50 H50A 119.0 . .
C49 C50 H50A 119.0 . .
C50 C51 C52 114.5(8) . .
C50 C51 C54 122.3(8) . .
C52 C51 C54 123.2(8) . .
C53 C52 C51 120.3(9) . .
C53 C52 H52A 119.9 . .
C51 C52 H52A 119.9 . .
N1 C53 C52 124.3(9) . .
N1 C53 H53A 117.8 . .
C52 C53 H53A 117.8 . .
C51 C54 C55 109.7(9) . .
C51 C54 H54A 109.7 . .
C55 C54 H54A 109.7 . .
C51 C54 H54B 109.7 . .
C55 C54 H54B 109.7 . .
H54A C54 H54B 108.2 . .
C56 C55 C54 121.8(13) . .
C56 C55 H55A 106.9 . .
C54 C55 H55A 106.9 . .
C56 C55 H55B 106.9 . .
C54 C55 H55B 106.9 . .
H55A C55 H55B 106.7 . .
C55 C56 C59 121.1(15) . .
C55 C56 H56A 107.1 . .
C59 C56 H56A 107.1 . .
C55 C56 H56B 107.1 . .
C59 C56 H56B 107.1 . .
H56A C56 H56B 106.8 . .
N2 C57 C58 121.1(12) . .
N2 C57 H57A 119.4 . .
C58 C57 H57A 119.4 . .
C57 C58 C59 119.8(13) . .
C57 C58 H58A 120.1 . .
C59 C58 H58A 120.1 . .
C60 C59 C58 116.8(11) . .
C60 C59 C56 121.9(15) . .
C58 C59 C56 121.3(16) . .
C59 C60 C61 119.5(12) . .
C59 C60 H60A 120.3 . .
C61 C60 H60A 120.3 . .
N2 C61 C60 124.9(12) . .
N2 C61 H61A 117.6 . .
C60 C61 H61A 117.6 . .
Pb2 O1 Pb3 108.89(16) . .
Pb2 O1 Pb3 115.17(17) . 2
Pb3 O1 Pb3 102.17(16) . 2
Pb2 O1 Pb1 103.55(16) . .
Pb3 O1 Pb1 118.49(17) . .
Pb3 O1 Pb1 109.11(16) 2 .
C11 O2 Pb1 101.3(5) . .
C11 O2 Pb2 148.7(5) . .
Pb1 O2 Pb2 94.37(16) . .
C11 O3 Pb1 84.3(5) . .
C12 O4 Pb4 101.2(4) . 4_545
C12 O5 Pb5 120.6(5) . 4_545
C23 O6 Pb1 126.5(4) . .
C23 O7 Pb2 134.1(4) . .
C24 O8 Pb5 97.1(8) . 6
C24 O9 Pb5 94.7(9) . 6
C35 O10 Pb3 109.0(4) . .
C35 O10 Pb1 158.5(4) . 2
Pb3 O10 Pb1 92.46(14) . 2
C35 O11 Pb4 137.6(4) . .
C35 O11 Pb1 109.8(4) . .
Pb4 O11 Pb1 109.62(17) . .
C36 O12 Pb2 134.9(6) . 1_565
C36 O12 Pb3 100.4(5) . 1_565
Pb2 O12 Pb3 88.00(17) 1_565 1_565
C36 O13 Pb2 154.5(6) . 2_565
C47 O14 Pb4 127.2(8) . .
C47 O15 Pb5 150.2(8) . .
C48 O16 Pb4 110.3(6) . 1_565
C48 O17 Pb2 127.2(6) . 1_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 O1 2.357(4) .
Pb1 O2 2.415(5) .
Pb1 O6 2.432(5) .
Pb1 O10 2.723(5) 2
Pb1 O3 2.798(6) .
Pb1 O4 2.842(5) 4
Pb1 O11 2.899(5) .
Pb1 Pb2 3.6054(4) .
Pb2 O1 2.232(4) .
Pb2 O13 2.487(8) 2_545
Pb2 O2 2.499(5) .
Pb2 O12 2.541(7) 1_545
Pb2 O7 2.611(5) .
Pb2 O17 2.674(6) 1_545
Pb2 Pb3 3.6784(4) .
Pb3 O1 2.289(4) .
Pb3 O1 2.315(4) 2
Pb3 O10 2.544(5) .
Pb3 O12 2.750(6) 1_545
Pb3 O17 2.944(6) 1_545
Pb3 O13 2.957(9) 1_545
Pb3 Pb3 3.5823(5) 2
Pb4 O11 2.446(5) .
Pb4 O14 2.478(8) .
Pb4 O4 2.558(5) 4
Pb4 O16 2.640(7) 1_545
Pb4 N2 2.691(8) 3_455
Pb4 O5 2.936(5) 4
Pb5 O15 2.389(8) .
Pb5 O5 2.415(5) 4
Pb5 O8 2.467(9) 6_556
Pb5 O9 2.571(10) 6_556
Pb5 N1 2.584(7) .
Pb5 O8 2.845(8) 4
N1 C49 1.307(10) .
N1 C53 1.315(12) .
N2 C57 1.300(13) .
N2 C61 1.315(12) .
N2 Pb4 2.691(8) 3_545
C1 C2 1.370(11) .
C1 C10 1.421(10) .
C1 C11 1.516(11) .
C2 C3 1.404(10) .
C2 H2A 0.9300 .
C3 C4 1.377(10) .
C3 H3A 0.9300 .
C4 C5 1.453(11) .
C4 C12 1.495(11) .
C5 C10 1.411(11) .
C5 C6 1.423(11) .
C6 C7 1.321(14) .
C6 H6A 0.9300 .
C7 C8 1.395(14) .
C7 H7A 0.9300 .
C8 C9 1.373(11) .
C8 H8A 0.9300 .
C9 C10 1.410(12) .
C9 H9A 0.9300 .
C11 O3 1.229(10) .
C11 O2 1.272(9) .
C12 O4 1.258(8) .
C12 O5 1.264(9) .
C13 C14 1.358(10) .
C13 C22 1.427(10) .
C13 C23 1.497(10) .
C14 C15 1.406(12) .
C14 H14A 0.9300 .
C15 C16 1.365(12) .
C15 H15A 0.9300 .
C16 C17 1.416(11) .
C16 C24 1.505(12) .
C17 C18 1.398(12) .
C17 C22 1.420(10) .
C18 C19 1.353(14) .
C18 H18A 0.9300 .
C19 C20 1.411(15) .
C19 H19A 0.9300 .
C20 C21 1.352(12) .
C20 H20A 0.9300 .
C21 C22 1.398(11) .
C21 H21A 0.9300 .
C23 O7 1.241(8) .
C23 O6 1.267(8) .
C24 O9 1.138(12) .
C24 O8 1.243(16) .
C25 C26 1.366(9) .
C25 C34 1.417(9) .
C25 C35 1.486(8) .
C26 C27 1.404(9) .
C26 H26A 0.9300 .
C27 C28 1.340(9) .
C27 H27A 0.9300 .
C28 C29 1.430(9) .
C28 C36 1.516(10) .
C29 C30 1.417(10) .
C29 C34 1.421(9) .
C30 C31 1.374(12) .
C30 H30A 0.9300 .
C31 C32 1.381(12) .
C31 H31A 0.9300 .
C32 C33 1.362(11) .
C32 H32A 0.9300 .
C33 C34 1.410(9) .
C33 H33A 0.9300 .
C35 O10 1.234(7) .
C35 O11 1.259(8) .
C36 O12 1.237(11) .
C36 O13 1.253(10) .
C37 C38 1.363(12) .
C37 C46 1.454(13) .
C37 C47 1.542(15) .
C38 C39 1.405(13) .
C38 H38A 0.9300 .
C39 C40 1.370(13) .
C39 H39A 0.9300 .
C40 C41 1.409(12) .
C40 C48 1.504(12) .
C41 C46 1.405(12) .
C41 C42 1.430(13) .
C42 C43 1.368(12) .
C42 H42A 0.9300 .
C43 C44 1.417(14) .
C43 H43A 0.9300 .
C44 C45 1.353(14) .
C44 H44A 0.9300 .
C45 C46 1.410(12) .
C45 H45A 0.9300 .
C47 O15 1.212(13) .
C47 O14 1.238(14) .
C48 O16 1.231(10) .
C48 O17 1.260(9) .
C49 C50 1.375(12) .
C49 H49A 0.9300 .
C50 C51 1.362(12) .
C50 H50A 0.9300 .
C51 C52 1.375(11) .
C51 C54 1.495(11) .
C52 C53 1.367(13) .
C52 H52A 0.9300 .
C53 H53A 0.9300 .
C54 C55 1.562(15) .
C54 H54A 0.9700 .
C54 H54B 0.9700 .
C55 C56 1.272(17) .
C55 H55A 0.9700 .
C55 H55B 0.9700 .
C56 C59 1.523(15) .
C56 H56A 0.9700 .
C56 H56B 0.9700 .
C57 C58 1.396(15) .
C57 H57A 0.9300 .
C58 C59 1.402(18) .
C58 H58A 0.9300 .
C59 C60 1.338(18) .
C60 C61 1.355(15) .
C60 H60A 0.9300 .
C61 H61A 0.9300 .
O1 Pb3 2.315(4) 2
O4 Pb4 2.558(5) 4_545
O5 Pb5 2.415(5) 4_545
O8 Pb5 2.467(9) 6
O9 Pb5 2.571(10) 6
O10 Pb1 2.723(5) 2
O12 Pb2 2.541(7) 1_565
O12 Pb3 2.750(6) 1_565
O13 Pb2 2.487(8) 2_565
O16 Pb4 2.640(7) 1_565
O17 Pb2 2.674(6) 1_565
