#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:42:58 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180481 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/50/7215066.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_7215066
loop_
_publ_author_name
'Zheng, Sheng-Run'
'Chen, Rui-Ling'
'Xie, Tao'
'Liu, Zi-Meng'
'Wen, Xi-Ling'
'Chen, Xue-Yun'
'Fan, Jun'
'Zhang, Wei-Guang'
_publ_section_title
;
 Construction of several new s-/p-block complexes containing binuclear
 metal--terpyridine building blocks: dependence of structural diversity on
 the number of coordinated water molecules
;
_journal_issue                   19
_journal_name_full               CrystEngComm
_journal_page_first              4029
_journal_paper_doi               10.1039/c3ce41790e
_journal_volume                  16
_journal_year                    2014
_chemical_formula_sum            'C63 H57 N9 O27 Pb3 S6'
_chemical_formula_weight         2186.11
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.4430(10)
_cell_angle_beta                 101.7930(10)
_cell_angle_gamma                90.4240(10)
_cell_formula_units_Z            2
_cell_length_a                   13.8500(12)
_cell_length_b                   14.6293(12)
_cell_length_c                   17.9504(16)
_cell_measurement_reflns_used    3389
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      22.03
_cell_measurement_theta_min      2.27
_cell_volume                     3528.1(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0402
_diffrn_reflns_av_sigmaI/netI    0.0786
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            16274
_diffrn_reflns_theta_full        23.78
_diffrn_reflns_theta_max         23.78
_diffrn_reflns_theta_min         1.50
_exptl_absorpt_coefficient_mu    7.409
_exptl_absorpt_correction_T_max  0.3489
_exptl_absorpt_correction_T_min  0.2806
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.058
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2112
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.543
_refine_diff_density_min         -1.223
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.987
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1000
_refine_ls_number_reflns         10652
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      0.989
_refine_ls_R_factor_all          0.0754
_refine_ls_R_factor_gt           0.0457
_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)+(0.0500P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0985
_refine_ls_wR_factor_ref         0.1143
_reflns_number_gt                7467
_reflns_number_total             10652
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce41790e.txt
_cod_data_source_block           5Pb
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/current/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      'P-1   '
_cod_database_code               7215066
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pb1 Pb 0.32397(3) 0.19604(2) 0.36178(2) 0.04070(13) Uani 1 1 d . . .
Pb2 Pb 0.70139(3) 0.87636(3) 0.11358(2) 0.04478(13) Uani 1 1 d . . .
Pb3 Pb 0.99354(3) 0.35793(3) 0.20642(3) 0.05091(15) Uani 1 1 d . . .
C1 C 0.7944(8) 0.9598(7) 0.3004(7) 0.059(3) Uani 1 1 d . . .
H1A H 0.7941 1.0137 0.2780 0.070 Uiso 1 1 calc R . .
C2 C 0.8351(8) 0.9629(8) 0.3797(8) 0.062(3) Uani 1 1 d . . .
H2A H 0.8632 1.0172 0.4092 0.074 Uiso 1 1 calc R . .
C3 C 0.8315(8) 0.8834(8) 0.4112(7) 0.060(3) Uani 1 1 d . . .
H3A H 0.8562 0.8833 0.4634 0.072 Uiso 1 1 calc R . .
C4 C 0.7918(8) 0.8035(7) 0.3664(6) 0.051(3) Uani 1 1 d . . .
H4A H 0.7902 0.7493 0.3882 0.061 Uiso 1 1 calc R . .
C5 C 0.7540(7) 0.8035(7) 0.2888(6) 0.039(3) Uani 1 1 d . . .
C6 C 0.7106(6) 0.7200(6) 0.2382(6) 0.035(2) Uani 1 1 d . . .
C7 C 0.6987(7) 0.6387(6) 0.2656(6) 0.040(3) Uani 1 1 d . . .
H7A H 0.7157 0.6365 0.3182 0.048 Uiso 1 1 calc R . .
C8 C 0.6623(7) 0.5598(7) 0.2172(6) 0.039(2) Uani 1 1 d . . .
C9 C 0.6368(6) 0.5669(7) 0.1398(7) 0.046(3) Uani 1 1 d . . .
H9A H 0.6108 0.5152 0.1055 0.056 Uiso 1 1 calc R . .
C10 C 0.6488(6) 0.6489(6) 0.1122(6) 0.034(2) Uani 1 1 d . . .
C11 C 0.6217(7) 0.6595(7) 0.0301(6) 0.036(2) Uani 1 1 d . . .
C12 C 0.5982(7) 0.5847(7) -0.0261(6) 0.044(3) Uani 1 1 d . . .
H12A H 0.5965 0.5252 -0.0133 0.053 Uiso 1 1 calc R . .
C13 C 0.5773(7) 0.6004(8) -0.1019(7) 0.053(3) Uani 1 1 d . . .
H13A H 0.5625 0.5509 -0.1410 0.064 Uiso 1 1 calc R . .
C14 C 0.5784(9) 0.6884(9) -0.1197(7) 0.066(4) Uani 1 1 d . . .
H14A H 0.5635 0.6993 -0.1706 0.079 Uiso 1 1 calc R . .
C15 C 0.6015(9) 0.7592(9) -0.0624(7) 0.070(4) Uani 1 1 d . . .
H15A H 0.6016 0.8191 -0.0746 0.084 Uiso 1 1 calc R . .
C16 C 0.6432(7) 0.4737(6) 0.2501(6) 0.037(2) Uani 1 1 d . . .
C17 C 0.6760(7) 0.3854(7) 0.2280(6) 0.040(3) Uani 1 1 d . . .
C18 C 0.6545(6) 0.3128(7) 0.2661(6) 0.044(3) Uani 1 1 d . . .
H18A H 0.6779 0.2546 0.2534 0.053 Uiso 1 1 calc R . .
C19 C 0.5997(7) 0.3260(7) 0.3216(6) 0.044(3) Uani 1 1 d . . .
C20 C 0.5648(8) 0.4102(7) 0.3429(6) 0.052(3) Uani 1 1 d . . .
H20A H 0.5271 0.4184 0.3804 0.062 Uiso 1 1 calc R . .
C21 C 0.5876(8) 0.4838(7) 0.3063(7) 0.061(3) Uani 1 1 d . . .
H21A H 0.5644 0.5417 0.3202 0.074 Uiso 1 1 calc R . .
C22 C 0.9089(9) 0.3762(8) 0.3692(7) 0.065(4) Uani 1 1 d . . .
H22A H 0.9112 0.3127 0.3567 0.078 Uiso 1 1 calc R A .
C23 C 0.8713(10) 0.4100(9) 0.4326(9) 0.081(4) Uani 1 1 d . . .
H23A H 0.8449 0.3705 0.4604 0.097 Uiso 1 1 calc R . .
C24 C 0.8743(10) 0.5043(9) 0.4533(7) 0.081(4) Uani 1 1 d . . .
H24A H 0.8526 0.5291 0.4971 0.097 Uiso 1 1 calc R A .
C25 C 0.9091(9) 0.5618(8) 0.4093(7) 0.069(4) Uani 1 1 d . . .
H25A H 0.9110 0.6255 0.4222 0.083 Uiso 1 1 calc R . .
C26 C 0.9416(7) 0.5207(7) 0.3440(6) 0.044(3) Uani 1 1 d . . .
C27 C 0.9805(6) 0.5773(7) 0.2933(6) 0.041(3) Uani 1 1 d . A .
C28 C 0.9854(7) 0.6744(7) 0.3047(6) 0.043(3) Uani 1 1 d . . .
H28A H 0.9607 0.7058 0.3448 0.051 Uiso 1 1 calc R A .
C29 C 1.0254(6) 0.7234(6) 0.2584(6) 0.034(2) Uani 1 1 d . . .
C30 C 1.0564(6) 0.6734(6) 0.1958(5) 0.035(2) Uani 1 1 d . . .
H30A H 1.0823 0.7044 0.1618 0.041 Uiso 1 1 calc R A .
C31 C 1.0484(7) 0.5784(6) 0.1846(5) 0.032(2) Uani 1 1 d . A .
C32 C 1.0828(7) 0.5237(6) 0.1197(5) 0.034(2) Uani 1 1 d . . .
C33 C 1.1345(7) 0.5626(7) 0.0727(6) 0.049(3) Uani 1 1 d . . .
H33A H 1.1514 0.6253 0.0820 0.059 Uiso 1 1 calc R . .
C34 C 1.1606(8) 0.5077(8) 0.0122(7) 0.056(3) Uani 1 1 d . . .
H34A H 1.1954 0.5331 -0.0198 0.067 Uiso 1 1 calc R A .
C35 C 1.1349(8) 0.4148(8) -0.0007(7) 0.055(3) Uani 1 1 d . . .
H35A H 1.1518 0.3766 -0.0413 0.066 Uiso 1 1 calc R . .
C36 C 1.0850(8) 0.3814(8) 0.0468(8) 0.068(4) Uani 1 1 d . . .
H36A H 1.0679 0.3187 0.0381 0.082 Uiso 1 1 calc R A .
C37 C 1.0311(6) 0.8278(6) 0.2729(6) 0.033(2) Uani 1 1 d . . .
C38 C 1.0056(6) 0.8890(6) 0.2202(5) 0.031(2) Uani 1 1 d . . .
C39 C 1.0180(7) 0.9844(6) 0.2455(6) 0.039(2) Uani 1 1 d . . .
H39A H 1.0000 1.0256 0.2102 0.046 Uiso 1 1 calc R A .
C40 C 1.0563(6) 1.0181(6) 0.3211(5) 0.033(2) Uani 1 1 d . . .
C41 C 1.0829(7) 0.9568(6) 0.3741(6) 0.038(2) Uani 1 1 d . . .
H41A H 1.1089 0.9782 0.4254 0.046 Uiso 1 1 calc R A .
C42 C 1.0699(7) 0.8627(6) 0.3487(5) 0.036(2) Uani 1 1 d . . .
H42A H 1.0879 0.8215 0.3841 0.043 Uiso 1 1 calc R . .
C43 C 1.4185(7) 1.1800(8) 0.5516(7) 0.058(3) Uani 1 1 d . . .
H43A H 1.4297 1.2429 0.5520 0.070 Uiso 1 1 calc R . .
C44 C 1.4339(7) 1.1455(9) 0.6203(7) 0.054(3) Uani 1 1 d . . .
H44A H 1.4536 1.1843 0.6664 0.064 Uiso 1 1 calc R . .
C45 C 1.4202(7) 1.0551(9) 0.6197(7) 0.055(3) Uani 1 1 d . . .
H45A H 1.4322 1.0302 0.6657 0.066 Uiso 1 1 calc R . .
C46 C 1.3883(8) 0.9982(7) 0.5516(7) 0.050(3) Uani 1 1 d . . .
H46A H 1.3757 0.9356 0.5513 0.061 Uiso 1 1 calc R . .
C47 C 1.3752(6) 1.0362(6) 0.4832(5) 0.032(2) Uani 1 1 d . . .
C48 C 1.3431(6) 0.9775(6) 0.4068(5) 0.028(2) Uani 1 1 d . . .
C49 C 1.3415(6) 0.8825(6) 0.4002(6) 0.034(2) Uani 1 1 d . . .
H49A H 1.3612 0.8531 0.4435 0.040 Uiso 1 1 calc R . .
C50 C 1.3097(6) 0.8308(6) 0.3276(6) 0.037(3) Uani 1 1 d . . .
C51 C 1.2806(7) 0.8792(6) 0.2661(6) 0.039(2) Uani 1 1 d . . .
H51A H 1.2569 0.8472 0.2174 0.047 Uiso 1 1 calc R . .
C52 C 1.2864(6) 0.9748(6) 0.2760(6) 0.035(2) Uani 1 1 d . . .
C53 C 1.2525(7) 1.0262(7) 0.2097(6) 0.039(2) Uani 1 1 d . . .
C54 C 1.2110(8) 0.9842(7) 0.1374(6) 0.054(3) Uani 1 1 d . . .
H54A H 1.2067 0.9201 0.1272 0.065 Uiso 1 1 calc R . .
C55 C 1.1754(9) 1.0367(8) 0.0794(7) 0.070(4) Uani 1 1 d . . .
H55A H 1.1465 1.0091 0.0302 0.084 Uiso 1 1 calc R . .
C56 C 1.1843(10) 1.1299(8) 0.0971(7) 0.077(4) Uani 1 1 d . . .
H56A H 1.1612 1.1672 0.0596 0.093 Uiso 1 1 calc R . .
C57 C 1.2273(8) 1.1691(8) 0.1703(7) 0.059(3) Uani 1 1 d . . .
H57A H 1.2342 1.2330 0.1807 0.070 Uiso 1 1 calc R . .
C58 C 1.2997(6) 0.7276(6) 0.3209(6) 0.032(2) Uani 1 1 d . . .
C59 C 1.3239(7) 0.6648(6) 0.2618(6) 0.037(2) Uani 1 1 d . . .
C60 C 1.3075(6) 0.5714(6) 0.2618(5) 0.034(2) Uani 1 1 d . . .
H60A H 1.3218 0.5296 0.2222 0.041 Uiso 1 1 calc R . .
C61 C 1.2704(7) 0.5392(6) 0.3193(6) 0.041(3) Uani 1 1 d . A .
C62 C 1.2456(8) 0.5986(6) 0.3772(6) 0.049(3) Uani 1 1 d . . .
H62A H 1.2180 0.5770 0.4150 0.059 Uiso 1 1 calc R . .
C63 C 1.2631(8) 0.6930(6) 0.3777(6) 0.045(3) Uani 1 1 d . . .
H63A H 1.2494 0.7340 0.4181 0.054 Uiso 1 1 calc R . .
N1 N 0.7565(6) 0.8819(5) 0.2568(5) 0.045(2) Uani 1 1 d . . .
N2 N 0.6842(5) 0.7257(5) 0.1625(4) 0.036(2) Uani 1 1 d . . .
N3 N 0.6247(6) 0.7456(6) 0.0132(5) 0.047(2) Uani 1 1 d . . .
N4 N 1.0118(5) 0.5304(5) 0.2323(5) 0.040(2) Uani 1 1 d . A .
N04 N 0.9415(6) 0.4299(6) 0.3260(5) 0.050(2) Uani 1 1 d . . .
N6 N 1.0576(6) 0.4333(6) 0.1071(6) 0.056(3) Uani 1 1 d . . .
N7 N 1.3873(6) 1.1259(5) 0.4823(5) 0.042(2) Uani 1 1 d . . .
N8 N 1.3184(5) 1.0238(5) 0.3458(4) 0.0297(18) Uani 1 1 d . . .
N9 N 1.2592(6) 1.1199(6) 0.2261(5) 0.047(2) Uani 1 1 d . . .
O1 O 0.6737(6) 0.3566(5) 0.0831(4) 0.064(2) Uani 1 1 d . . .
O2 O 0.7895(6) 0.2719(5) 0.1692(5) 0.069(2) Uani 1 1 d . . .
O3 O 0.8216(5) 0.4322(5) 0.1656(4) 0.054(2) Uani 1 1 d . . .
O4 O 0.5518(7) 0.2630(6) 0.4385(5) 0.087(3) Uani 1 1 d . . .
O5 O 0.6603(6) 0.1734(6) 0.3671(6) 0.107(4) Uani 1 1 d . . .
O6 O 0.4868(5) 0.1791(5) 0.3141(5) 0.064(2) Uani 1 1 d . . .
O7 O 0.8702(5) 0.7894(4) 0.1220(4) 0.0484(19) Uani 1 1 d . . .
O8 O 0.9061(6) 0.9411(5) 0.0947(4) 0.060(2) Uani 1 1 d . . .
O9 O 1.0227(5) 0.8195(5) 0.0822(4) 0.0532(19) Uani 1 1 d . . .
O10 O 1.1654(5) 1.1546(5) 0.3982(5) 0.062(2) Uani 1 1 d . . .
O11 O 1.0475(8) 1.1863(5) 0.2882(5) 0.092(3) Uani 1 1 d . . .
O12 O 0.9967(6) 1.1542(5) 0.4031(6) 0.086(3) Uani 1 1 d . . .
O13 O 1.2947(5) 0.7332(5) 0.1319(4) 0.0528(19) Uani 1 1 d . . .
O14 O 1.4534(5) 0.7644(5) 0.2181(4) 0.059(2) Uani 1 1 d . . .
O15 O 1.4121(6) 0.6121(5) 0.1492(4) 0.067(2) Uani 1 1 d . . .
O16 O 1.3408(11) 0.3769(11) 0.3164(12) 0.058(5) Uani 0.50 1 d PU A 1
O17 O 1.1768(9) 0.3911(8) 0.2414(8) 0.043(3) Uani 0.50 1 d PU A 1
O18 O 1.2017(14) 0.4068(11) 0.3790(10) 0.063(4) Uani 0.50 1 d PU A 1
O18' O 1.3036(17) 0.4049(12) 0.4000(12) 0.100(6) Uani 0.50 1 d PU A 2
O17' O 1.1547(13) 0.4019(12) 0.3248(13) 0.078(5) Uani 0.50 1 d PU A 2
O16' O 1.3004(16) 0.3688(13) 0.2696(12) 0.081(5) Uani 0.50 1 d PU A 2
S1 S 0.7447(2) 0.36017(19) 0.15546(18) 0.0499(7) Uani 1 1 d . . .
S2 S 0.5742(2) 0.2278(2) 0.3649(2) 0.0584(8) Uani 1 1 d . . .
S3 S 0.94804(19) 0.85738(18) 0.12125(15) 0.0414(6) Uani 1 1 d . . .
S4 S 1.06443(19) 1.13886(17) 0.35291(17) 0.0436(7) Uani 1 1 d . . .
S5 S 1.3762(2) 0.69553(18) 0.18390(16) 0.0439(7) Uani 1 1 d . . .
S6 S 1.2486(2) 0.41860(17) 0.31712(19) 0.0506(8) Uani 1 1 d . . .
O1W O 0.5363(6) 0.8855(5) 0.1467(5) 0.083(3) Uani 1 1 d . . .
H1WA H 0.4975 0.8636 0.1050 0.124 Uiso 1 1 d R . .
H1WB H 0.5370 0.8465 0.1783 0.124 Uiso 1 1 d R . .
O2W O 0.5982(8) 0.9974(8) -0.0071(9) 0.160(5) Uani 1 1 d . . .
O3W O 0.3224(11) -0.1800(7) 0.0073(6) 0.144(5) Uani 1 1 d . . .
O4W O 0.5026(10) 1.0706(7) 0.1755(7) 0.136(4) Uani 1 1 d . . .
O5W O 0.8412(6) 0.1963(6) 0.4777(5) 0.078(3) Uani 1 1 d . . .
O6W O 0.7267(19) 1.0858(9) 0.1495(9) 0.291(13) Uani 1 1 d . . .
O7W O 0.4906(14) 0.4163(10) 0.5287(10) 0.219(7) Uani 1 1 d . . .
O8W O 1.0794(9) 0.7808(9) -0.0616(7) 0.156(6) Uani 1 1 d . . .
O9W O 1.267(2) 0.3383(15) 0.5095(12) 0.383(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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pb Pb -3.3944 10.1111 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
N8 Pb1 O10 75.8(2) 1_445 1_445
N8 Pb1 N7 64.9(3) 1_445 1_445
O10 Pb1 N7 79.0(3) 1_445 1_445
N8 Pb1 N9 65.3(3) 1_445 1_445
O10 Pb1 N9 90.3(3) 1_445 1_445
N7 Pb1 N9 130.2(3) 1_445 1_445
N8 Pb1 O6 84.9(2) 1_445 .
O10 Pb1 O6 160.6(2) 1_445 .
N7 Pb1 O6 94.3(3) 1_445 .
N9 Pb1 O6 80.1(3) 1_445 .
O1W Pb2 N2 77.6(2) . .
O1W Pb2 N3 85.1(3) . .
N2 Pb2 N3 64.9(3) . .
O1W Pb2 N1 82.2(3) . .
N2 Pb2 N1 65.4(3) . .
N3 Pb2 N1 130.2(3) . .
O1W Pb2 O7 147.8(2) . .
N2 Pb2 O7 70.7(2) . .
N3 Pb2 O7 87.1(2) . .
N1 Pb2 O7 79.3(2) . .
N4 Pb3 O17 75.3(3) . .
N4 Pb3 N04 64.8(3) . .
O17 Pb3 N04 101.2(4) . .
N4 Pb3 N6 64.8(3) . .
O17 Pb3 N6 66.9(4) . .
N04 Pb3 N6 129.6(3) . .
N4 Pb3 O17' 72.5(4) . .
O17 Pb3 O17' 34.4(5) . .
N04 Pb3 O17' 69.0(5) . .
N6 Pb3 O17' 97.0(5) . .
N4 Pb3 O3 69.8(2) . .
O17 Pb3 O3 143.9(3) . .
N04 Pb3 O3 71.9(2) . .
N6 Pb3 O3 89.8(3) . .
O17' Pb3 O3 134.1(4) . .
N1 C1 C2 122.0(11) . .
C3 C2 C1 117.5(11) . .
C4 C3 C2 120.4(12) . .
C3 C4 C5 120.0(11) . .
N1 C5 C4 120.3(9) . .
N1 C5 C6 117.5(9) . .
C4 C5 C6 122.2(10) . .
N2 C6 C7 120.6(9) . .
N2 C6 C5 117.3(8) . .
C7 C6 C5 122.1(10) . .
C6 C7 C8 121.5(10) . .
C9 C8 C7 117.0(9) . .
C9 C8 C16 123.0(9) . .
C7 C8 C16 119.8(9) . .
C8 C9 C10 121.5(10) . .
C9 C10 N2 119.5(9) . .
C9 C10 C11 123.2(9) . .
N2 C10 C11 117.3(8) . .
N3 C11 C12 121.9(9) . .
N3 C11 C10 116.2(8) . .
C12 C11 C10 121.9(9) . .
C13 C12 C11 118.3(10) . .
C12 C13 C14 120.2(10) . .
C15 C14 C13 119.2(11) . .
C14 C15 N3 121.9(11) . .
C21 C16 C17 118.5(9) . .
C21 C16 C8 115.8(9) . .
C17 C16 C8 125.6(9) . .
C18 C17 C16 118.5(9) . .
C18 C17 S1 117.3(8) . .
C16 C17 S1 124.2(8) . .
C19 C18 C17 121.0(10) . .
C20 C19 C18 121.7(9) . .
C20 C19 S2 121.0(8) . .
C18 C19 S2 117.2(8) . .
C19 C20 C21 117.7(10) . .
C16 C21 C20 122.4(10) . .
N04 C22 C23 122.8(11) . .
C22 C23 C24 117.9(11) . .
C25 C24 C23 120.2(12) . .
C24 C25 C26 117.6(11) . .
N04 C26 C25 121.8(10) . .
N04 C26 C27 116.9(10) . .
C25 C26 C27 121.3(10) . .
N4 C27 C28 119.8(10) . .
N4 C27 C26 116.5(9) . .
C28 C27 C26 123.7(10) . .
C29 C28 C27 121.6(10) . .
C28 C29 C30 117.2(9) . .
C28 C29 C37 120.4(9) . .
C30 C29 C37 122.3(9) . .
C31 C30 C29 120.1(9) . .
N4 C31 C30 122.2(9) . .
N4 C31 C32 116.7(8) . .
C30 C31 C32 121.2(9) . .
N6 C32 C33 121.0(9) . .
N6 C32 C31 116.0(9) . .
C33 C32 C31 123.0(9) . .
C32 C33 C34 119.4(10) . .
C35 C34 C33 119.5(11) . .
C36 C35 C34 118.2(10) . .
C35 C36 N6 124.1(11) . .
C38 C37 C42 118.6(8) . .
C38 C37 C29 128.0(9) . .
C42 C37 C29 113.3(9) . .
C37 C38 C39 119.1(9) . .
C37 C38 S3 125.0(7) . .
C39 C38 S3 115.7(7) . .
C40 C39 C38 121.7(9) . .
C39 C40 C41 119.4(9) . .
C39 C40 S4 120.9(7) . .
C41 C40 S4 119.6(7) . .
C42 C41 C40 118.6(9) . .
C41 C42 C37 122.6(9) . .
C44 C43 N7 122.8(11) . .
C45 C44 C43 118.6(11) . .
C44 C45 C46 120.6(11) . .
C45 C46 C47 118.7(10) . .
N7 C47 C46 121.8(9) . .
N7 C47 C48 116.8(8) . .
C46 C47 C48 121.4(9) . .
N8 C48 C49 122.9(9) . .
N8 C48 C47 115.6(8) . .
C49 C48 C47 121.5(8) . .
C48 C49 C50 119.3(9) . .
C51 C50 C49 117.2(8) . .
C51 C50 C58 123.0(9) . .
C49 C50 C58 119.6(9) . .
C50 C51 C52 120.8(9) . .
N8 C52 C51 121.5(9) . .
N8 C52 C53 118.0(8) . .
C51 C52 C53 120.4(9) . .
N9 C53 C54 120.9(9) . .
N9 C53 C52 115.6(9) . .
C54 C53 C52 123.3(9) . .
C55 C54 C53 120.3(10) . .
C56 C55 C54 117.6(11) . .
C55 C56 C57 120.2(11) . .
N9 C57 C56 122.7(10) . .
C63 C58 C59 118.3(8) . .
C63 C58 C50 116.2(9) . .
C59 C58 C50 125.5(9) . .
C58 C59 C60 119.0(9) . .
C58 C59 S5 125.3(7) . .
C60 C59 S5 115.7(7) . .
C61 C60 C59 121.2(9) . .
C60 C61 C62 121.1(9) . .
C60 C61 S6 120.2(8) . .
C62 C61 S6 118.7(8) . .
C61 C62 C63 117.8(10) . .
C58 C63 C62 122.6(9) . .
C5 N1 C1 119.8(10) . .
C5 N1 Pb2 119.3(6) . .
C1 N1 Pb2 120.7(7) . .
C6 N2 C10 119.9(8) . .
C6 N2 Pb2 120.2(6) . .
C10 N2 Pb2 119.9(6) . .
C11 N3 C15 118.5(9) . .
C11 N3 Pb2 120.9(6) . .
C15 N3 Pb2 119.6(7) . .
C31 N4 C27 119.0(8) . .
C31 N4 Pb3 120.7(6) . .
C27 N4 Pb3 120.2(6) . .
C22 N04 C26 119.7(11) . .
C22 N04 Pb3 118.8(8) . .
C26 N04 Pb3 121.3(7) . .
C32 N6 C36 117.8(10) . .
C32 N6 Pb3 120.4(7) . .
C36 N6 Pb3 120.7(7) . .
C47 N7 C43 117.4(9) . .
C47 N7 Pb1 120.4(6) . 1_665
C43 N7 Pb1 121.2(7) . 1_665
C48 N8 C52 118.2(8) . .
C48 N8 Pb1 121.2(6) . 1_665
C52 N8 Pb1 120.5(6) . 1_665
C57 N9 C53 118.4(9) . .
C57 N9 Pb1 121.1(7) . 1_665
C53 N9 Pb1 120.5(6) . 1_665
S1 O3 Pb3 108.1(4) . .
S2 O6 Pb1 116.0(4) . .
S3 O7 Pb2 107.9(3) . .
S4 O10 Pb1 131.7(5) . 1_665
S6 O17 Pb3 133.2(9) . .
S6 O17' Pb3 125.9(13) . .
O1 S1 O3 113.1(5) . .
O1 S1 O2 114.2(5) . .
O3 S1 O2 109.9(4) . .
O1 S1 C17 105.7(5) . .
O3 S1 C17 108.4(4) . .
O2 S1 C17 105.0(5) . .
O5 S2 O4 116.3(6) . .
O5 S2 O6 111.4(6) . .
O4 S2 O6 110.3(5) . .
O5 S2 C19 105.0(5) . .
O4 S2 C19 106.4(5) . .
O6 S2 C19 106.7(5) . .
O9 S3 O8 114.4(5) . .
O9 S3 O7 112.8(4) . .
O8 S3 O7 110.9(4) . .
O9 S3 C38 107.3(4) . .
O8 S3 C38 105.9(4) . .
O7 S3 C38 104.8(4) . .
O11 S4 O12 116.3(6) . .
O11 S4 O10 112.3(5) . .
O12 S4 O10 109.0(5) . .
O11 S4 C40 108.8(5) . .
O12 S4 C40 105.6(5) . .
O10 S4 C40 103.9(4) . .
O15 S5 O14 113.3(5) . .
O15 S5 O13 112.7(5) . .
O14 S5 O13 112.0(4) . .
O15 S5 C59 106.5(4) . .
O14 S5 C59 106.0(4) . .
O13 S5 C59 105.5(4) . .
O18 S6 O16 117.8(11) . .
O18 S6 O17' 44.1(9) . .
O16 S6 O17' 143.2(10) . .
O18 S6 O16' 139.5(11) . .
O16 S6 O16' 37.7(9) . .
O17' S6 O16' 127.8(12) . .
O18 S6 O17 109.6(9) . .
O16 S6 O17 110.7(10) . .
O17' S6 O17 66.3(10) . .
O16' S6 O17 73.5(11) . .
O18 S6 O18' 55.0(10) . .
O16 S6 O18' 68.6(11) . .
O17' S6 O18' 98.5(12) . .
O16' S6 O18' 104.5(12) . .
O17 S6 O18' 154.5(9) . .
O18 S6 C61 107.6(7) . .
O16 S6 C61 106.3(7) . .
O17' S6 C61 110.0(8) . .
O16' S6 C61 110.8(9) . .
O17 S6 C61 103.8(6) . .
O18' S6 C61 100.6(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 N8 2.497(7) 1_445
Pb1 O10 2.507(7) 1_445
Pb1 N7 2.514(8) 1_445
Pb1 N9 2.523(8) 1_445
Pb1 O6 2.574(7) .
Pb2 O1W 2.478(8) .
Pb2 N2 2.502(8) .
Pb2 N3 2.516(8) .
Pb2 N1 2.519(9) .
Pb2 O7 2.656(6) .
Pb3 N4 2.507(7) .
Pb3 O17 2.514(12) .
Pb3 N04 2.510(9) .
Pb3 N6 2.515(9) .
Pb3 O17' 2.757(19) .
Pb3 O3 2.631(7) .
C1 N1 1.333(12) .
C1 C2 1.414(16) .
C2 C3 1.362(16) .
C3 C4 1.373(14) .
C4 C5 1.385(14) .
C5 N1 1.350(12) .
C5 C6 1.470(13) .
C6 N2 1.347(12) .
C6 C7 1.366(12) .
C7 C8 1.376(13) .
C8 C9 1.379(14) .
C8 C16 1.503(13) .
C9 C10 1.377(13) .
C10 N2 1.367(11) .
C10 C11 1.472(13) .
C11 N3 1.335(11) .
C11 C12 1.378(13) .
C12 C13 1.382(14) .
C13 C14 1.366(15) .
C14 C15 1.348(15) .
C15 N3 1.370(14) .
C16 C21 1.383(14) .
C16 C17 1.407(13) .
C17 C18 1.396(13) .
C17 S1 1.768(10) .
C18 C19 1.368(14) .
C19 C20 1.364(13) .
C19 S2 1.785(10) .
C20 C21 1.398(14) .
C22 N04 1.310(13) .
C22 C23 1.383(17) .
C23 C24 1.379(16) .
C24 C25 1.373(16) .
C25 C26 1.405(15) .
C26 N04 1.326(12) .
C26 C27 1.481(14) .
C27 N4 1.364(12) .
C27 C28 1.408(13) .
C28 C29 1.359(13) .
C29 C30 1.404(12) .
C29 C37 1.515(12) .
C30 C31 1.379(12) .
C31 N4 1.346(11) .
C31 C32 1.489(12) .
C32 N6 1.344(11) .
C32 C33 1.383(13) .
C33 C34 1.377(14) .
C34 C35 1.380(14) .
C35 C36 1.337(15) .
C36 N6 1.360(13) .
C37 C38 1.380(12) .
C37 C42 1.385(12) .
C38 C39 1.408(12) .
C38 S3 1.791(9) .
C39 C40 1.377(13) .
C40 C41 1.389(13) .
C40 S4 1.780(9) .
C41 C42 1.392(12) .
C43 C44 1.370(16) .
C43 N7 1.372(13) .
C44 C45 1.334(15) .
C45 C46 1.374(14) .
C46 C47 1.391(13) .
C47 N7 1.324(11) .
C47 C48 1.503(12) .
C48 N8 1.348(11) .
C48 C49 1.378(11) .
C49 C50 1.404(13) .
C50 C51 1.382(13) .
C50 C58 1.502(12) .
C51 C52 1.387(12) .
C52 N8 1.348(11) .
C52 C53 1.486(13) .
C53 N9 1.362(11) .
C53 C54 1.370(13) .
C54 C55 1.386(14) .
C55 C56 1.358(15) .
C56 C57 1.375(15) .
C57 N9 1.315(13) .
C58 C63 1.377(13) .
C58 C59 1.407(13) .
C59 C60 1.384(12) .
C59 S5 1.804(10) .
C60 C61 1.374(13) .
C61 C62 1.368(13) .
C61 S6 1.782(9) .
C62 C63 1.398(12) .
N7 Pb1 2.514(8) 1_665
N8 Pb1 2.497(7) 1_665
N9 Pb1 2.523(8) 1_665
O1 S1 1.455(8) .
O2 S1 1.465(7) .
O3 S1 1.461(7) .
O4 S2 1.450(9) .
O5 S2 1.435(8) .
O6 S2 1.473(8) .
O7 S3 1.466(7) .
O8 S3 1.454(7) .
O9 S3 1.439(7) .
O10 S4 1.466(7) .
O10 Pb1 2.507(7) 1_665
O11 S4 1.409(8) .
O12 S4 1.428(8) .
O13 S5 1.470(7) .
O14 S5 1.447(7) .
O15 S5 1.436(7) .
O16 S6 1.421(16) .
O17 S6 1.516(12) .
O18 S6 1.425(16) .
O18' S6 1.565(19) .
O17' S6 1.358(17) .
O16' S6 1.37(2) .
