#------------------------------------------------------------------------------
#$Date: 2016-03-23 20:47:22 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179424 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/21/4332126.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_4332126
loop_
_publ_author_name
'Fan, Le-Qing'
'Wu, Li-Ming'
'Chen, Ling'
_publ_section_title
;
 Syntheses, Crystal Structures, and Properties of Heterometallic
 Iodoplumbates:  Bicubane, Ribbon, and Chain Configurations
;
_journal_issue                   8
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3149
_journal_page_last               3151
_journal_paper_doi               10.1021/ic052211g
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'C84 H88 Ag4 I12 N4 O4 P4 Pb4'
_chemical_formula_weight         4124.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 99.424(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.9561(5)
_cell_length_b                   24.4637(18)
_cell_length_c                   25.428(2)
_cell_measurement_reflns_used    8594
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.7121
_cell_measurement_theta_min      3.0312
_cell_volume                     5496.1(7)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Mercury70 (2x2 bin mode)'
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_type           Molybdenum
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            33718
_diffrn_reflns_theta_full        24.71
_diffrn_reflns_theta_max         24.71
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    10.272
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.4810
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    2.492
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             3728
_exptl_crystal_size_max          0.2500
_exptl_crystal_size_mid          0.1600
_exptl_crystal_size_min          0.1500
_refine_diff_density_max         1.381
_refine_diff_density_min         -1.346
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     526
_refine_ls_number_reflns         9351
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0494
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0347P)²+18.7574P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0885
_refine_ls_wR_factor_ref         0.0956
_reflns_number_gt                8088
_reflns_number_total             9351
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic052211gsup2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-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
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        5496.0(7)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               4332126
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.5000 0.5000 0.5000 0.04278(12) Uani 1 2 d S
Pb2 Pb 0.0000 0.5000 0.5000 0.05047(14) Uani 1 2 d S
Ag1 Ag 0.21586(9) 0.44042(3) 0.38078(3) 0.0609(2) Uani 1 1 d .
Ag2 Ag 0.20511(9) 0.57463(3) 0.38989(3) 0.0613(2) Uani 1 1 d .
I1 I 0.24669(7) 0.40528(2) 0.49189(2) 0.04970(15) Uani 1 1 d .
I2 I 0.45804(6) 0.51095(2) 0.37256(2) 0.04471(14) Uani 1 1 d .
I3 I -0.06033(7) 0.50453(2) 0.37226(2) 0.05297(16) Uani 1 1 d .
I4 I 0.74688(7) 0.40458(2) 0.49660(2) 0.05002(15) Uani 1 1 d .
P1 P 0.1552(2) 0.35885(9) 0.32558(8) 0.0420(5) Uani 1 1 d .
P2 P 0.1195(2) 0.65628(9) 0.33783(8) 0.0397(5) Uani 1 1 d .
C1 C 0.2188(10) 0.2948(4) 0.3555(3) 0.051(2) Uani 1 1 d .
C2 C 0.3629(12) 0.2930(5) 0.3863(4) 0.078(3) Uani 1 1 d .
H2A H 0.4207 0.3247 0.3923 0.093 Uiso 1 1 calc R
C3 C 0.4182(18) 0.2445(9) 0.4076(6) 0.123(6) Uani 1 1 d .
H3A H 0.5152 0.2434 0.4273 0.148 Uiso 1 1 calc R
C4 C 0.334(2) 0.1971(7) 0.4006(6) 0.124(7) Uani 1 1 d .
H4A H 0.3734 0.1646 0.4160 0.148 Uiso 1 1 calc R
C5 C 0.196(2) 0.1980(5) 0.3719(5) 0.099(5) Uani 1 1 d .
H5A H 0.1400 0.1659 0.3668 0.119 Uiso 1 1 calc R
C6 C 0.1349(14) 0.2469(4) 0.3493(4) 0.069(3) Uani 1 1 d .
H6A H 0.0372 0.2473 0.3300 0.083 Uiso 1 1 calc R
C7 C -0.0500(9) 0.3541(3) 0.3098(3) 0.044(2) Uani 1 1 d .
C8 C -0.1311(11) 0.3571(4) 0.3516(4) 0.061(3) Uani 1 1 d .
H8A H -0.0802 0.3583 0.3866 0.073 Uiso 1 1 calc R
C9 C -0.2857(11) 0.3584(5) 0.3417(5) 0.084(4) Uani 1 1 d .
H9A H -0.3400 0.3580 0.3699 0.101 Uiso 1 1 calc R
C10 C -0.3612(12) 0.3602(5) 0.2901(6) 0.095(4) Uani 1 1 d .
H10A H -0.4655 0.3654 0.2833 0.115 Uiso 1 1 calc R
C11 C -0.2824(12) 0.3544(6) 0.2494(5) 0.091(4) Uani 1 1 d .
H11A H -0.3339 0.3509 0.2147 0.109 Uiso 1 1 calc R
C12 C -0.1279(11) 0.3535(4) 0.2588(4) 0.063(3) Uani 1 1 d .
H12A H -0.0750 0.3525 0.2303 0.076 Uiso 1 1 calc R
C13 C 0.2196(9) 0.3570(4) 0.2608(3) 0.045(2) Uani 1 1 d .
C14 C 0.2643(11) 0.3106(4) 0.2382(3) 0.054(2) Uani 1 1 d .
H14A H 0.2615 0.2771 0.2553 0.065 Uiso 1 1 calc R
C15 C 0.3139(12) 0.3136(5) 0.1897(4) 0.069(3) Uani 1 1 d .
H15A H 0.3437 0.2816 0.1746 0.083 Uiso 1 1 calc R
C16 C 0.3206(13) 0.3615(6) 0.1633(4) 0.081(4) Uani 1 1 d .
H16A H 0.3562 0.3624 0.1310 0.097 Uiso 1 1 calc R
C17 C 0.2738(12) 0.4089(5) 0.1852(4) 0.077(3) Uani 1 1 d .
H17A H 0.2750 0.4419 0.1670 0.093 Uiso 1 1 calc R
C18 C 0.2246(11) 0.4073(4) 0.2345(4) 0.069(3) Uani 1 1 d .
H18A H 0.1953 0.4392 0.2498 0.082 Uiso 1 1 calc R
C19 C -0.0848(9) 0.6596(3) 0.3250(3) 0.0430(19) Uani 1 1 d .
C20 C -0.1603(10) 0.6537(4) 0.3680(4) 0.052(2) Uani 1 1 d .
H20A H -0.1047 0.6503 0.4021 0.062 Uiso 1 1 calc R
C21 C -0.3168(11) 0.6526(4) 0.3612(5) 0.071(3) Uani 1 1 d .
H21A H -0.3653 0.6492 0.3907 0.085 Uiso 1 1 calc R
C22 C -0.3997(11) 0.6565(5) 0.3116(5) 0.077(3) Uani 1 1 d .
H22A H -0.5047 0.6543 0.3068 0.093 Uiso 1 1 calc R
C23 C -0.3266(11) 0.6637(5) 0.2679(4) 0.075(3) Uani 1 1 d .
H23A H -0.3831 0.6681 0.2340 0.090 Uiso 1 1 calc R
C24 C -0.1686(10) 0.6646(4) 0.2745(3) 0.052(2) Uani 1 1 d .
H24A H -0.1201 0.6685 0.2451 0.063 Uiso 1 1 calc R
C25 C 0.1723(9) 0.6584(4) 0.2717(3) 0.044(2) Uani 1 1 d .
C26 C 0.1607(11) 0.6097(4) 0.2427(4) 0.064(3) Uani 1 1 d .
H26A H 0.1283 0.5780 0.2577 0.076 Uiso 1 1 calc R
C27 C 0.1967(15) 0.6080(6) 0.1920(5) 0.096(4) Uani 1 1 d .
H27A H 0.1821 0.5759 0.1722 0.115 Uiso 1 1 calc R
C28 C 0.2535(15) 0.6530(7) 0.1708(4) 0.092(4) Uani 1 1 d .
H28A H 0.2818 0.6513 0.1372 0.111 Uiso 1 1 calc R
C29 C 0.2692(13) 0.7019(5) 0.1999(4) 0.079(3) Uani 1 1 d .
H29A H 0.3074 0.7329 0.1857 0.095 Uiso 1 1 calc R
C30 C 0.2270(11) 0.7036(4) 0.2502(3) 0.058(3) Uani 1 1 d .
H30A H 0.2365 0.7362 0.2695 0.070 Uiso 1 1 calc R
C31 C 0.1768(9) 0.7224(4) 0.3663(3) 0.044(2) Uani 1 1 d .
C32 C 0.0823(11) 0.7674(4) 0.3603(3) 0.057(2) Uani 1 1 d .
H32A H -0.0151 0.7636 0.3413 0.068 Uiso 1 1 calc R
C33 C 0.1280(14) 0.8178(4) 0.3815(4) 0.073(3) Uani 1 1 d .
H33A H 0.0629 0.8476 0.3755 0.087 Uiso 1 1 calc R
C34 C 0.2662(16) 0.8240(6) 0.4109(5) 0.091(4) Uani 1 1 d .
H34A H 0.2953 0.8576 0.4264 0.109 Uiso 1 1 calc R
C35 C 0.3646(15) 0.7801(6) 0.4178(5) 0.094(4) Uani 1 1 d .
H35A H 0.4623 0.7848 0.4362 0.113 Uiso 1 1 calc R
C36 C 0.3182(11) 0.7285(5) 0.3973(4) 0.070(3) Uani 1 1 d .
H36A H 0.3820 0.6984 0.4044 0.084 Uiso 1 1 calc R
Pb3 Pb -0.73761(4) 0.530752(14) 0.029773(13) 0.04771(11) Uani 1 1 d .
I5 I -1.01549(8) 0.48283(3) 0.07907(2) 0.0697(2) Uani 1 1 d .
I6 I -0.57529(8) 0.41949(3) 0.01250(3) 0.06114(18) Uani 1 1 d .
O1 O -0.5855(9) 0.5315(3) 0.1233(2) 0.074(2) Uani 1 1 d .
O2 O -0.8377(9) 0.6301(3) 0.0364(3) 0.073(2) Uani 1 1 d .
N1 N -0.3804(11) 0.5215(4) 0.1866(3) 0.078(3) Uani 1 1 d .
N2 N -0.9924(10) 0.7005(3) 0.0097(3) 0.062(2) Uani 1 1 d .
C37 C -0.4491(16) 0.5270(6) 0.1371(4) 0.094(4) Uani 1 1 d .
H37A H -0.3890 0.5275 0.1105 0.112 Uiso 1 1 calc R
C38 C -0.2170(17) 0.5174(8) 0.2008(5) 0.147(8) Uani 1 1 d .
H38A H -0.1719 0.5196 0.1691 0.221 Uiso 1 1 calc R
H38B H -0.1910 0.4832 0.2183 0.221 Uiso 1 1 calc R
H38C H -0.1802 0.5469 0.2244 0.221 Uiso 1 1 calc R
C39 C -0.4578(18) 0.5191(6) 0.2308(5) 0.110(5) Uani 1 1 d .
H39A H -0.5650 0.5198 0.2185 0.165 Uiso 1 1 calc R
H39B H -0.4296 0.5499 0.2536 0.165 Uiso 1 1 calc R
H39C H -0.4313 0.4859 0.2503 0.165 Uiso 1 1 calc R
C40 C -0.9584(13) 0.6492(4) 0.0151(4) 0.067(3) Uani 1 1 d .
H40A H -1.0334 0.6244 0.0012 0.080 Uiso 1 1 calc R
C41 C -0.8848(16) 0.7422(5) 0.0291(6) 0.105(4) Uani 1 1 d .
H41A H -0.7919 0.7256 0.0456 0.157 Uiso 1 1 calc R
H41B H -0.9245 0.7644 0.0547 0.157 Uiso 1 1 calc R
H41C H -0.8662 0.7647 -0.0002 0.157 Uiso 1 1 calc R
C42 C -1.1416(14) 0.7191(6) -0.0169(5) 0.101(4) Uani 1 1 d .
H42A H -1.2034 0.6879 -0.0286 0.152 Uiso 1 1 calc R
H42B H -1.1299 0.7413 -0.0470 0.152 Uiso 1 1 calc R
H42C H -1.1891 0.7401 0.0077 0.152 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
I2 Pb1 I2 180.0 . 3_666
I2 Pb1 I1 91.750(14) . .
I2 Pb1 I1 88.250(14) 3_666 .
I2 Pb1 I1 88.250(14) . 3_666
I2 Pb1 I1 91.750(14) 3_666 3_666
I1 Pb1 I1 180.0 . 3_666
I2 Pb1 I4 89.956(14) . 3_666
I2 Pb1 I4 90.044(14) 3_666 3_666
I1 Pb1 I4 92.497(16) . 3_666
I1 Pb1 I4 87.503(16) 3_666 3_666
I2 Pb1 I4 90.044(14) . .
I2 Pb1 I4 89.956(14) 3_666 .
I1 Pb1 I4 87.503(16) . .
I1 Pb1 I4 92.497(16) 3_666 .
I4 Pb1 I4 180.00(2) 3_666 .
I3 Pb2 I3 180.0 . 3_566
I3 Pb2 I1 87.921(15) . .
I3 Pb2 I1 92.079(15) 3_566 .
I3 Pb2 I1 92.079(15) . 3_566
I3 Pb2 I1 87.921(15) 3_566 3_566
I1 Pb2 I1 180.0 . 3_566
I3 Pb2 I4 90.185(15) . 3_666
I3 Pb2 I4 89.815(15) 3_566 3_666
I1 Pb2 I4 92.040(16) . 3_666
I1 Pb2 I4 87.960(16) 3_566 3_666
I3 Pb2 I4 89.816(15) . 1_455
I3 Pb2 I4 90.184(15) 3_566 1_455
I1 Pb2 I4 87.960(16) . 1_455
I1 Pb2 I4 92.040(16) 3_566 1_455
I4 Pb2 I4 180.000(1) 3_666 1_455
P1 Ag1 I2 124.06(6) . .
P1 Ag1 I3 106.89(6) . .
I2 Ag1 I3 108.75(3) . .
P1 Ag1 I1 106.94(6) . .
I2 Ag1 I1 107.52(3) . .
I3 Ag1 I1 100.10(3) . .
P1 Ag1 Ag2 147.80(6) . .
I2 Ag1 Ag2 54.85(2) . .
I3 Ag1 Ag2 55.47(2) . .
I1 Ag1 Ag2 102.97(3) . .
P2 Ag2 I2 123.37(6) . .
P2 Ag2 I4 112.22(6) . 3_666
I2 Ag2 I4 105.01(3) . 3_666
P2 Ag2 I3 102.84(6) . .
I2 Ag2 I3 107.77(3) . .
I4 Ag2 I3 104.00(3) 3_666 .
P2 Ag2 Ag1 141.73(6) . .
I2 Ag2 Ag1 53.81(2) . .
I4 Ag2 Ag1 104.13(3) 3_666 .
I3 Ag2 Ag1 55.49(2) . .
Ag1 I1 Pb1 78.73(2) . .
Ag1 I1 Pb2 83.88(2) . .
Pb1 I1 Pb2 87.812(16) . .
Ag1 I2 Ag2 71.34(3) . .
Ag1 I2 Pb1 80.66(2) . .
Ag2 I2 Pb1 81.59(2) . .
Ag2 I3 Ag1 69.04(3) . .
Ag2 I3 Pb2 82.31(2) . .
Ag1 I3 Pb2 84.58(2) . .
Ag2 I4 Pb1 80.60(2) 3_666 .
Ag2 I4 Pb2 81.83(2) 3_666 1_655
Pb1 I4 Pb2 87.573(16) . 1_655
C1 P1 C7 106.1(4) . .
C1 P1 C13 103.5(4) . .
C7 P1 C13 104.8(4) . .
C1 P1 Ag1 116.3(3) . .
C7 P1 Ag1 107.4(3) . .
C13 P1 Ag1 117.6(3) . .
C19 P2 C31 104.1(4) . .
C19 P2 C25 103.9(4) . .
C31 P2 C25 104.1(4) . .
C19 P2 Ag2 110.6(3) . .
C31 P2 Ag2 118.0(3) . .
C25 P2 Ag2 114.7(3) . .
C6 C1 C2 118.0(10) . .
C6 C1 P1 124.2(7) . .
C2 C1 P1 117.8(8) . .
C3 C2 C1 119.5(13) . .
C2 C3 C4 121.7(14) . .
C5 C4 C3 119.7(14) . .
C4 C5 C6 120.5(14) . .
C1 C6 C5 120.4(11) . .
C12 C7 C8 118.6(8) . .
C12 C7 P1 123.4(7) . .
C8 C7 P1 117.7(7) . .
C9 C8 C7 120.1(10) . .
C8 C9 C10 120.2(11) . .
C11 C10 C9 119.4(10) . .
C10 C11 C12 120.5(11) . .
C11 C12 C7 120.8(10) . .
C14 C13 C18 119.5(9) . .
C14 C13 P1 124.0(7) . .
C18 C13 P1 116.5(8) . .
C13 C14 C15 119.7(10) . .
C16 C15 C14 122.3(11) . .
C15 C16 C17 119.1(10) . .
C16 C17 C18 119.9(10) . .
C17 C18 C13 119.5(11) . .
C20 C19 C24 118.8(8) . .
C20 C19 P2 117.7(6) . .
C24 C19 P2 123.4(7) . .
C19 C20 C21 121.4(9) . .
C22 C21 C20 120.1(10) . .
C21 C22 C23 119.6(10) . .
C22 C23 C24 120.4(9) . .
C19 C24 C23 119.7(9) . .
C30 C25 C26 119.0(9) . .
C30 C25 P2 124.0(7) . .
C26 C25 P2 117.0(7) . .
C27 C26 C25 120.6(11) . .
C28 C27 C26 120.4(12) . .
C27 C28 C29 119.5(11) . .
C30 C29 C28 119.5(12) . .
C25 C30 C29 120.8(10) . .
C32 C31 C36 117.8(9) . .
C32 C31 P2 122.5(7) . .
C36 C31 P2 119.7(8) . .
C31 C32 C33 122.0(10) . .
C34 C33 C32 120.3(12) . .
C33 C34 C35 119.4(12) . .
C34 C35 C36 120.6(11) . .
C31 C36 C35 119.6(11) . .
O1 Pb3 O2 94.0(2) . .
O1 Pb3 I6 87.02(17) . .
O2 Pb3 I6 170.57(17) . .
O1 Pb3 I5 88.15(18) . .
O2 Pb3 I5 91.07(17) . .
I6 Pb3 I5 98.33(2) . .
O1 Pb3 I5 168.40(18) . 3_365
O2 Pb3 I5 87.55(17) . 3_365
I6 Pb3 I5 93.31(2) . 3_365
I5 Pb3 I5 80.320(19) . 3_365
O1 Pb3 I6 87.14(18) . 3_465
O2 Pb3 I6 89.80(17) . 3_465
I6 Pb3 I6 80.886(19) . 3_465
I5 Pb3 I6 175.26(2) . 3_465
I5 Pb3 I6 104.38(2) 3_365 3_465
Pb3 I5 Pb3 99.680(19) . 3_365
Pb3 I6 Pb3 99.114(19) . 3_465
C37 O1 Pb3 128.8(7) . .
C40 O2 Pb3 128.2(7) . .
C37 N1 C39 123.5(11) . .
C37 N1 C38 122.6(10) . .
C39 N1 C38 113.9(10) . .
C40 N2 C41 121.5(10) . .
C40 N2 C42 122.0(10) . .
C41 N2 C42 116.5(10) . .
O1 C37 N1 125.0(11) . .
O2 C40 N2 126.5(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pb1 I2 3.2118(6) .
Pb1 I2 3.2118(6) 3_666
Pb1 I1 3.2258(6) .
Pb1 I1 3.2258(6) 3_666
Pb1 I4 3.2261(6) 3_666
Pb1 I4 3.2261(6) .
Pb2 I3 3.2063(7) .
Pb2 I3 3.2063(7) 3_566
Pb2 I1 3.2315(6) .
Pb2 I1 3.2315(6) 3_566
Pb2 I4 3.2453(6) 3_666
Pb2 I4 3.2453(6) 1_455
Ag1 P1 2.449(2) .
Ag1 I2 2.8059(9) .
Ag1 I3 2.9068(10) .
Ag1 I1 2.9227(10) .
Ag1 Ag2 3.2939(12) .
Ag2 P2 2.449(2) .
Ag2 I2 2.8425(10) .
Ag2 I4 2.8927(10) 3_666
Ag2 I3 2.9060(10) .
I4 Ag2 2.8927(10) 3_666
I4 Pb2 3.2453(6) 1_655
P1 C1 1.792(10) .
P1 C7 1.819(8) .
P1 C13 1.832(9) .
P2 C19 1.808(8) .
P2 C31 1.813(9) .
P2 C25 1.821(8) .
C1 C6 1.387(14) .
C1 C2 1.397(13) .
C2 C3 1.363(19) .
C3 C4 1.38(2) .
C4 C5 1.33(2) .
C5 C6 1.401(16) .
C7 C12 1.367(12) .
C7 C8 1.385(12) .
C8 C9 1.367(13) .
C9 C10 1.374(16) .
C10 C11 1.353(16) .
C11 C12 1.365(13) .
C13 C14 1.361(12) .
C13 C18 1.405(12) .
C14 C15 1.378(12) .
C15 C16 1.356(16) .
C16 C17 1.381(16) .
C17 C18 1.397(15) .
C19 C20 1.383(11) .
C19 C24 1.383(11) .
C20 C21 1.385(12) .
C21 C22 1.360(14) .
C22 C23 1.390(15) .
C23 C24 1.397(13) .
C25 C30 1.359(12) .
C25 C26 1.398(12) .
C26 C27 1.379(15) .
C27 C28 1.361(18) .
C28 C29 1.401(17) .
C29 C30 1.394(13) .
C31 C32 1.381(12) .
C31 C36 1.385(12) .
C32 C33 1.382(13) .
C33 C34 1.346(16) .
C34 C35 1.383(18) .
C35 C36 1.403(16) .
Pb3 O1 2.541(7) .
Pb3 O2 2.605(7) .
Pb3 I6 3.1502(7) .
Pb3 I5 3.1877(8) .
Pb3 I5 3.2644(8) 3_365
Pb3 I6 3.3877(8) 3_465
I5 Pb3 3.2644(8) 3_365
I6 Pb3 3.3877(8) 3_465
O1 C37 1.220(13) .
O2 C40 1.221(12) .
N1 C37 1.315(13) .
N1 C39 1.414(14) .
N1 C38 1.452(16) .
N2 C40 1.292(13) .
N2 C41 1.435(13) .
N2 C42 1.468(14) .
