#------------------------------------------------------------------------------
#$Date: 2016-03-21 10:43:06 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178664 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/75/4077501.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_4077501
loop_
_publ_author_name
'Ara, Irene'
'Forniés, Juan'
'Gómez, Julio'
'Lalinde, Elena'
'Moreno, M. Teresa'
_publ_section_title
;
 Versatile Behavior of [Pt2Ag4(C⋮C-t-Bu)8]:  Synthesis,
 Structures, and Properties of [{Pt2Ag4(C⋮C-t-Bu)8}{Ag(bipy)}]4+and
 an Unprecedented Chain Polymeric Cocrystallization Adduct with a
 2,2‘-bipy Ligand
;
_journal_issue                   16
_journal_name_full               Organometallics
_journal_page_first              3137
_journal_paper_doi               10.1021/om0001570
_journal_volume                  19
_journal_year                    2000
_chemical_formula_sum            'C88 H104 Ag8 Cl4 N8 O16 Pt2'
_chemical_formula_weight         2924.73
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 91.720(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.9290(10)
_cell_length_b                   22.985(3)
_cell_length_c                   29.596(3)
_cell_measurement_temperature    200(2)
_cell_volume                     10151.1(18)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_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  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0809
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -1
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            10555
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.10
_exptl_absorpt_coefficient_mu    4.419
_exptl_crystal_density_diffrn    1.914
_exptl_crystal_F_000             5664
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.117
_refine_diff_density_min         -0.699
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.025
_refine_ls_goodness_of_fit_obs   1.130
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7860
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_restrained_S_obs      1.130
_refine_ls_R_factor_all          0.1091
_refine_ls_R_factor_obs          0.0521
_refine_ls_shift/esd_max         -0.766
_refine_ls_shift/esd_mean        0.019
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0401P)²+36.3348P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1125
_refine_ls_wR_factor_obs         0.0925
_reflns_number_observed          5438
_reflns_number_total             8896
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            om0001570.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+36.3348P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0401P)^2^+36.3348P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4077501
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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
Pt1 Pt 0.56005(3) 0.10778(2) 0.315638(12) 0.03011(11) Uani 1 d .
Ag1 Ag 0.58253(7) -0.02632(4) 0.35215(3) 0.0531(3) Uani 1 d .
Ag2 Ag 0.59417(6) 0.03673(4) 0.22640(3) 0.0437(2) Uani 1 d .
Ag3 Ag 0.59802(8) 0.23797(4) 0.35336(3) 0.0673(3) Uani 1 d .
Ag4 Ag 0.59909(6) 0.18038(4) 0.23361(3) 0.0393(2) Uani 1 d .
N1 N 0.6124(5) -0.1110(4) 0.3926(3) 0.040(2) Uani 1 d .
N2 N 0.6923(6) -0.0059(4) 0.4099(3) 0.048(2) Uani 1 d .
N3 N 0.6074(8) 0.2203(4) 0.4325(3) 0.067(3) Uani 1 d .
N4 N 0.6084(7) 0.3259(4) 0.3906(3) 0.058(3) Uani 1 d .
C1 C 0.4744(7) 0.0485(4) 0.3406(4) 0.040(3) Uani 1 d .
C2 C 0.4251(8) 0.0197(5) 0.3642(4) 0.046(3) Uani 1 d .
C3 C 0.3656(8) -0.0060(5) 0.3992(4) 0.054(3) Uani 1 d .
C4 C 0.3436(9) -0.0695(5) 0.3873(4) 0.064(4) Uani 1 d .
H4A H 0.3978(9) -0.0920(5) 0.3880(4) 0.097 Uiso 1 d R
H4B H 0.3026(9) -0.0853(5) 0.4084(4) 0.097 Uiso 1 d R
H4C H 0.3168(9) -0.0708(5) 0.3574(4) 0.097 Uiso 1 d R
C5 C 0.2787(9) 0.0284(5) 0.3984(5) 0.087(5) Uani 1 d .
H5A H 0.2901(9) 0.0683(5) 0.4062(5) 0.130 Uiso 1 d R
H5B H 0.2525(9) 0.0264(5) 0.3684(5) 0.130 Uiso 1 d R
H5C H 0.2383(9) 0.0118(5) 0.4194(5) 0.130 Uiso 1 d R
C6 C 0.4153(11) -0.0001(7) 0.4443(4) 0.101(6) Uani 1 d .
H6A H 0.4699(11) -0.0221(7) 0.4436(4) 0.152 Uiso 1 d R
H6B H 0.4291(11) 0.0401(7) 0.4499(4) 0.152 Uiso 1 d R
H6C H 0.3789(11) -0.0147(7) 0.4680(4) 0.152 Uiso 1 d R
C7 C 0.6519(7) 0.0471(4) 0.2980(3) 0.035(3) Uani 1 d .
C8 C 0.7102(8) 0.0140(4) 0.2858(4) 0.044(3) Uani 1 d .
C9 C 0.7936(8) -0.0214(5) 0.2793(4) 0.056(3) Uani 1 d .
C10 C 0.8341(24) -0.0004(15) 0.2345(12) 0.102(11) Uiso 0.50 d P
C10' C 0.7909(20) -0.0423(13) 0.2292(9) 0.072(8) Uiso 0.50 d P
C11 C 0.7642(28) -0.0870(18) 0.2709(14) 0.132(14) Uiso 0.50 d P
C11' C 0.7967(18) -0.0733(12) 0.3113(9) 0.065(7) Uiso 0.50 d P
C12 C 0.8549(27) -0.0230(17) 0.3184(13) 0.117(13) Uiso 0.50 d P
C12' C 0.8775(22) 0.0173(14) 0.2923(11) 0.090(10) Uiso 0.50 d P
C13 C 0.5654(8) -0.1598(5) 0.3867(4) 0.048(3) Uani 1 d .
H13A H 0.5265(8) -0.1628(5) 0.3604(4) 0.058 Uiso 1 d R
C14 C 0.5698(8) -0.2059(5) 0.4166(4) 0.050(3) Uani 1 d .
H14A H 0.5366(8) -0.2410(5) 0.4108(4) 0.060 Uiso 1 d R
C15 C 0.6217(8) -0.1999(5) 0.4540(4) 0.055(3) Uani 1 d .
H15A H 0.6243(8) -0.2306(5) 0.4760(4) 0.066 Uiso 1 d R
C16 C 0.6717(8) -0.1502(5) 0.4608(4) 0.046(3) Uani 1 d .
H16A H 0.7100(8) -0.1461(5) 0.4872(4) 0.055 Uiso 1 d R
C17 C 0.6665(7) -0.1058(5) 0.4298(3) 0.038(2) Uani 1 d .
C18 C 0.7205(8) -0.0526(5) 0.4336(4) 0.048(3) Uani 1 d .
C19 C 0.7986(9) -0.0501(6) 0.4586(5) 0.077(5) Uani 1 d .
H19A H 0.8162(9) -0.0830(6) 0.4768(5) 0.093 Uiso 1 d R
C20 C 0.8522(11) -0.0005(7) 0.4582(6) 0.112(7) Uani 1 d .
H20A H 0.9085(11) 0.0009(7) 0.4747(6) 0.134 Uiso 1 d R
C21 C 0.8227(10) 0.0461(6) 0.4337(5) 0.084(5) Uani 1 d .
H21A H 0.8573(10) 0.0813(6) 0.4334(5) 0.101 Uiso 1 d R
C22 C 0.7455(9) 0.0431(5) 0.4102(4) 0.061(4) Uani 1 d .
H22A H 0.7257(9) 0.0760(5) 0.3926(4) 0.073 Uiso 1 d R
C23 C 0.6569(7) 0.1678(4) 0.3040(3) 0.035(3) Uani 1 d .
C24 C 0.7224(8) 0.1985(5) 0.3031(4) 0.043(3) Uani 1 d .
C25 C 0.8077(10) 0.2282(6) 0.3042(5) 0.069(4) Uani 1 d .
C26 C 0.8713(12) 0.2056(9) 0.2709(8) 0.163(6) Uani 1 d .
H26A H 0.8475(12) 0.2123(9) 0.2408(8) 0.245 Uiso 1 d R
H26B H 0.9279(12) 0.2251(9) 0.2747(8) 0.245 Uiso 1 d R
H26C H 0.8796(12) 0.1646(9) 0.2755(8) 0.245 Uiso 1 d R
C27 C 0.7955(12) 0.2923(9) 0.2973(8) 0.163(6) Uani 1 d .
H27A H 0.7722(12) 0.2988(9) 0.2672(8) 0.245 Uiso 1 d R
H27B H 0.7535(12) 0.3065(9) 0.3187(8) 0.245 Uiso 1 d R
H27C H 0.8514(12) 0.3125(9) 0.3015(8) 0.245 Uiso 1 d R
C28 C 0.8460(12) 0.2195(9) 0.3505(8) 0.163(6) Uani 1 d .
H28A H 0.8553(12) 0.1786(9) 0.3552(8) 0.245 Uiso 1 d R
H28B H 0.9019(12) 0.2397(9) 0.3547(8) 0.245 Uiso 1 d R
H28C H 0.8040(12) 0.2337(9) 0.3719(8) 0.245 Uiso 1 d R
C29 C 0.4703(7) 0.1681(5) 0.3346(3) 0.037(3) Uani 1 d .
C30 C 0.4139(8) 0.2010(4) 0.3491(3) 0.041(3) Uani 1 d .
C31 C 0.3411(9) 0.2317(6) 0.3724(4) 0.060(4) Uani 1 d .
C32 C 0.3444(12) 0.2149(7) 0.4213(5) 0.107(6) Uani 1 d .
H32A H 0.3380(12) 0.1735(7) 0.4239(5) 0.160 Uiso 1 d R
H32B H 0.4010(12) 0.2265(7) 0.4347(5) 0.160 Uiso 1 d R
H32C H 0.2968(12) 0.2338(7) 0.4367(5) 0.160 Uiso 1 d R
C33 C 0.3478(16) 0.2950(6) 0.3658(8) 0.235(17) Uani 1 d .
H33A H 0.3449(16) 0.3035(6) 0.3340(8) 0.352 Uiso 1 d R
H33B H 0.3003(16) 0.3149(6) 0.3805(8) 0.352 Uiso 1 d R
H33C H 0.4045(16) 0.3077(6) 0.3784(8) 0.352 Uiso 1 d R
C34 C 0.2525(11) 0.2112(11) 0.3540(6) 0.168(11) Uani 1 d .
H34A H 0.2469(11) 0.2212(11) 0.3225(6) 0.252 Uiso 1 d R
H34B H 0.2491(11) 0.1697(11) 0.3573(6) 0.252 Uiso 1 d R
H34C H 0.2049(11) 0.2291(11) 0.3700(6) 0.252 Uiso 1 d R
C35 C 0.6164(12) 0.1675(6) 0.4511(6) 0.097(6) Uani 1 d .
H35A H 0.6137(12) 0.1343(6) 0.4315(6) 0.117 Uiso 1 d R
C36 C 0.6295(11) 0.1597(7) 0.4966(6) 0.094(5) Uani 1 d .
H36A H 0.6316(11) 0.1213(7) 0.5094(6) 0.112 Uiso 1 d R
C37 C 0.6383(12) 0.2068(8) 0.5242(5) 0.094(5) Uani 1 d .
H37A H 0.6517(12) 0.2025(8) 0.5559(5) 0.112 Uiso 1 d R
C38 C 0.6295(10) 0.2607(7) 0.5043(4) 0.078(5) Uani 1 d .
H38A H 0.6329(10) 0.2950(7) 0.5228(4) 0.094 Uiso 1 d R
C39 C 0.6144(8) 0.2668(5) 0.4592(4) 0.051(3) Uani 1 d .
C40 C 0.6041(8) 0.3242(5) 0.4358(4) 0.051(3) Uani 1 d .
C41 C 0.5883(13) 0.3745(7) 0.4587(6) 0.112(7) Uani 1 d .
H41A H 0.5840(13) 0.3729(7) 0.4910(6) 0.135 Uiso 1 d R
C42 C 0.5786(15) 0.4270(7) 0.4372(6) 0.117(7) Uani 1 d .
H42A H 0.5712(15) 0.4622(7) 0.4542(6) 0.140 Uiso 1 d R
C43 C 0.5791(10) 0.4279(6) 0.3927(6) 0.082(5) Uani 1 d .
H43A H 0.5669(10) 0.4634(6) 0.3765(6) 0.098 Uiso 1 d R
C44 C 0.5974(10) 0.3773(5) 0.3703(5) 0.078(5) Uani 1 d .
H44A H 0.6025(10) 0.3789(5) 0.3380(5) 0.094 Uiso 1 d R
Cl1 Cl 0.0648(2) 0.11989(14) 0.43439(14) 0.0729(11) Uani 1 d .
O1 O -0.0123(6) 0.1555(3) 0.4293(3) 0.081(3) Uani 1 d .
O2 O 0.0435(7) 0.0695(4) 0.4602(4) 0.095(3) Uani 1 d .
O3 O 0.1379(8) 0.1481(5) 0.4539(5) 0.135(5) Uani 1 d .
O4 O 0.0866(10) 0.1022(7) 0.3888(5) 0.175(7) Uani 1 d .
Cl2 Cl 0.5000 -0.1090(2) 0.2500 0.0527(10) Uani 1 d S
O5 O 0.5733(18) -0.0826(10) 0.2238(8) 0.099(8) Uiso 0.50 d P
O6 O 0.5266(12) -0.1613(7) 0.2690(5) 0.069(5) Uiso 0.50 d P
O7 O 0.4711(15) -0.0736(9) 0.2854(7) 0.071(6) Uiso 0.50 d P
O8 O 0.4242(17) -0.1198(11) 0.2167(8) 0.125(8) Uiso 0.50 d P
Cl3 Cl 0.5000 0.3236(2) 0.2500 0.0451(10) Uani 1 d S
O9 O 0.4907(16) 0.3196(10) 0.2978(7) 0.106(7) Uiso 0.50 d P
O10 O 0.5878(15) 0.2978(9) 0.2443(8) 0.089(7) Uiso 0.50 d P
O11 O 0.5011(12) 0.3805(6) 0.2355(4) 0.053(4) Uiso 0.50 d P
O12 O 0.4330(15) 0.2892(9) 0.2283(8) 0.089(6) Uiso 0.50 d P
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'
Cl Cl 0.1484 0.1585 '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'
Pt Pt -1.7033 8.3905 '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
C29 Pt1 C1 85.9(4) . .
C29 Pt1 C7 178.6(4) . .
C1 Pt1 C7 94.0(4) . .
C29 Pt1 C23 93.6(4) . .
C1 Pt1 C23 168.0(4) . .
C7 Pt1 C23 86.2(4) . .
C29 Pt1 Ag4 89.4(3) . .
C1 Pt1 Ag4 143.7(3) . .
C7 Pt1 Ag4 91.4(3) . .
C23 Pt1 Ag4 48.2(3) . .
C29 Pt1 Ag2 89.0(3) . 2_655
C1 Pt1 Ag2 46.6(3) . 2_655
C7 Pt1 Ag2 92.0(3) . 2_655
C23 Pt1 Ag2 145.4(3) . 2_655
Ag4 Pt1 Ag2 97.43(3) . 2_655
C29 Pt1 Ag2 135.4(3) . .
C1 Pt1 Ag2 94.4(3) . .
C7 Pt1 Ag2 46.0(3) . .
C23 Pt1 Ag2 94.3(3) . .
Ag4 Pt1 Ag2 64.75(2) . .
Ag2 Pt1 Ag2 61.45(3) 2_655 .
C29 Pt1 Ag4 44.2(3) . 2_655
C1 Pt1 Ag4 92.8(3) . 2_655
C7 Pt1 Ag4 137.2(3) . 2_655
C23 Pt1 Ag4 95.2(3) . 2_655
Ag4 Pt1 Ag4 60.42(3) . 2_655
Ag2 Pt1 Ag4 63.62(2) 2_655 2_655
Ag2 Pt1 Ag4 91.42(2) . 2_655
C29 Pt1 Ag3 51.7(3) . .
C1 Pt1 Ag3 127.0(3) . .
C7 Pt1 Ag3 127.5(3) . .
C23 Pt1 Ag3 46.7(3) . .
Ag4 Pt1 Ag3 74.35(3) . .
Ag2 Pt1 Ag3 139.11(3) 2_655 .
Ag2 Pt1 Ag3 137.30(3) . .
Ag4 Pt1 Ag3 78.23(3) 2_655 .
C29 Pt1 Ag1 128.0(3) . .
C1 Pt1 Ag1 46.1(3) . .
C7 Pt1 Ag1 51.5(3) . .
C23 Pt1 Ag1 128.8(3) . .
Ag4 Pt1 Ag1 139.86(3) . .
Ag2 Pt1 Ag1 72.57(3) 2_655 .
Ag2 Pt1 Ag1 76.84(3) . .
Ag4 Pt1 Ag1 134.73(3) 2_655 .
Ag3 Pt1 Ag1 137.71(3) . .
N1 Ag1 C1 143.2(3) . .
N1 Ag1 N2 71.2(3) . .
C1 Ag1 N2 114.3(3) . .
N1 Ag1 C7 143.0(3) . .
C1 Ag1 C7 73.7(3) . .
N2 Ag1 C7 92.1(3) . .
N1 Ag1 C2 115.4(3) . .
C1 Ag1 C2 27.9(3) . .
N2 Ag1 C2 115.2(3) . .
C7 Ag1 C2 101.6(3) . .
N1 Ag1 Pt1 166.9(2) . .
C1 Ag1 Pt1 37.8(3) . .
N2 Ag1 Pt1 96.5(2) . .
C7 Ag1 Pt1 38.3(2) . .
C2 Ag1 Pt1 65.2(2) . .
C1 Ag2 C7 165.9(4) 2_655 .
C1 Ag2 C8 161.8(4) 2_655 .
C7 Ag2 C8 29.2(3) . .
C1 Ag2 Pt1 41.4(3) 2_655 2_655
C7 Ag2 Pt1 125.6(3) . 2_655
C8 Ag2 Pt1 154.2(2) . 2_655
C1 Ag2 Pt1 127.0(3) 2_655 .
C7 Ag2 Pt1 40.0(3) . .
C8 Ag2 Pt1 69.1(2) . .
Pt1 Ag2 Pt1 85.74(3) 2_655 .
C1 Ag2 Ag2 90.1(3) 2_655 2_655
C7 Ag2 Ag2 84.6(3) . 2_655
C8 Ag2 Ag2 107.2(3) . 2_655
Pt1 Ag2 Ag2 60.87(3) 2_655 2_655
Pt1 Ag2 Ag2 57.68(2) . 2_655
C1 Ag2 Ag4 86.8(3) 2_655 .
C7 Ag2 Ag4 80.1(3) . .
C8 Ag2 Ag4 98.6(2) . .
Pt1 Ag2 Ag4 60.54(2) 2_655 .
Pt1 Ag2 Ag4 55.55(2) . .
Ag2 Ag2 Ag4 89.42(2) 2_655 .
N4 Ag3 C23 150.8(4) . .
N4 Ag3 N3 71.2(3) . .
C23 Ag3 N3 118.7(3) . .
N4 Ag3 C29 134.3(4) . .
C23 Ag3 C29 74.0(3) . .
N3 Ag3 C29 97.4(3) . .
N4 Ag3 C24 123.0(4) . .
C23 Ag3 C24 27.8(3) . .
N3 Ag3 C24 119.1(4) . .
C29 Ag3 C24 101.5(3) . .
N4 Ag3 Pt1 169.7(3) . .
C23 Ag3 Pt1 38.8(3) . .
N3 Ag3 Pt1 100.8(3) . .
C29 Ag3 Pt1 38.6(2) . .
C24 Ag3 Pt1 66.3(2) . .
C23 Ag4 C29 164.7(4) . 2_655
C23 Ag4 C30 161.7(4) . 2_655
C29 Ag4 C30 29.2(3) 2_655 2_655
C23 Ag4 Pt1 42.4(3) . .
C29 Ag4 Pt1 123.7(3) 2_655 .
C30 Ag4 Pt1 152.0(2) 2_655 .
C23 Ag4 Ag4 93.0(3) . 2_655
C29 Ag4 Ag4 82.2(3) 2_655 2_655
C30 Ag4 Ag4 104.9(3) 2_655 2_655
Pt1 Ag4 Ag4 62.93(2) . 2_655
C23 Ag4 Pt1 127.6(3) . 2_655
C29 Ag4 Pt1 38.5(3) 2_655 2_655
C30 Ag4 Pt1 67.6(3) 2_655 2_655
Pt1 Ag4 Pt1 85.40(3) . 2_655
Ag4 Ag4 Pt1 56.65(2) 2_655 2_655
C23 Ag4 Ag2 86.5(3) . .
C29 Ag4 Ag2 79.0(3) 2_655 .
C30 Ag4 Ag2 97.2(2) 2_655 .
Pt1 Ag4 Ag2 59.71(2) . .
Ag4 Ag4 Ag2 90.04(2) 2_655 .
Pt1 Ag4 Ag2 55.84(2) 2_655 .
C13 N1 C17 118.8(10) . .
C13 N1 Ag1 123.1(7) . .
C17 N1 Ag1 116.6(7) . .
C18 N2 C22 118.5(10) . .
C18 N2 Ag1 114.6(7) . .
C22 N2 Ag1 123.5(7) . .
C39 N3 C35 118.5(12) . .
C39 N3 Ag3 116.7(8) . .
C35 N3 Ag3 124.3(10) . .
C44 N4 C40 117.8(11) . .
C44 N4 Ag3 123.7(8) . .
C40 N4 Ag3 116.5(8) . .
C2 C1 Pt1 165.9(10) . .
C2 C1 Ag2 100.0(8) . 2_655
Pt1 C1 Ag2 92.0(4) . 2_655
C2 C1 Ag1 86.8(8) . .
Pt1 C1 Ag1 96.1(4) . .
Ag2 C1 Ag1 109.4(4) 2_655 .
C1 C2 C3 169.1(12) . .
C1 C2 Ag1 65.3(7) . .
C3 C2 Ag1 119.1(7) . .
C2 C3 C6 106.7(10) . .
C2 C3 C5 107.7(10) . .
C6 C3 C5 111.4(12) . .
C2 C3 C4 110.0(10) . .
C6 C3 C4 112.6(11) . .
C5 C3 C4 108.3(11) . .
C8 C7 Pt1 175.2(9) . .
C8 C7 Ag2 85.0(8) . .
Pt1 C7 Ag2 94.1(4) . .
C8 C7 Ag1 94.6(7) . .
Pt1 C7 Ag1 90.2(4) . .
Ag2 C7 Ag1 111.3(4) . .
C7 C8 C9 167.6(12) . .
C7 C8 Ag2 65.8(7) . .
C9 C8 Ag2 125.8(8) . .
C12 C9 C8 114.5(18) . .
C12 C9 C11' 58.6(18) . .
C8 C9 C11' 110.7(13) . .
C12 C9 C10 115.9(23) . .
C8 C9 C10 106.6(16) . .
C11' C9 C10 140.4(18) . .
C12 C9 C10' 138.4(20) . .
C8 C9 C10' 106.9(14) . .
C11' C9 C10' 110.5(16) . .
C10 C9 C10' 44.1(15) . .
C12 C9 C12' 48.9(17) . .
C8 C9 C12' 108.6(14) . .
C11' C9 C12' 106.3(17) . .
C10 C9 C12' 72.9(18) . .
C10' C9 C12' 113.9(18) . .
C12 C9 C11 105.3(23) . .
C8 C9 C11 107.9(18) . .
C11' C9 C11 49.9(16) . .
C10 C9 C11 106.0(21) . .
C10' C9 C11 63.9(18) . .
C12' C9 C11 142.1(21) . .
C10' C10 C9 68.3(24) . .
C10' C10 C12' 118.7(32) . .
C9 C10 C12' 54.2(15) . .
C10 C10' C9 67.6(23) . .
C10 C10' C11 123.6(32) . .
C9 C10' C11 58.9(17) . .
C11' C11 C9 62.5(22) . .
C11' C11 C10' 115.9(33) . .
C9 C11 C10' 57.1(18) . .
C11 C11' C12 121.5(32) . .
C11 C11' C9 67.6(22) . .
C12 C11' C9 58.3(19) . .
C12' C12 C9 70.5(25) . .
C12' C12 C11' 131.7(37) . .
C9 C12 C11' 63.1(20) . .
C12 C12' C9 60.6(24) . .
C12 C12' C10 108.2(30) . .
C9 C12' C10 53.0(15) . .
N1 C13 C14 123.2(11) . .
C15 C14 C13 117.7(11) . .
C14 C15 C16 120.3(11) . .
C17 C16 C15 119.9(11) . .
N1 C17 C16 120.0(11) . .
N1 C17 C18 116.8(9) . .
C16 C17 C18 123.2(10) . .
N2 C18 C19 120.1(11) . .
N2 C18 C17 117.5(10) . .
C19 C18 C17 122.3(10) . .
C18 C19 C20 120.8(13) . .
C21 C20 C19 118.1(13) . .
C22 C21 C20 120.0(13) . .
C21 C22 N2 122.5(12) . .
C24 C23 Pt1 168.6(9) . .
C24 C23 Ag4 101.1(8) . .
Pt1 C23 Ag4 89.4(4) . .
C24 C23 Ag3 86.0(7) . .
Pt1 C23 Ag3 94.5(4) . .
Ag4 C23 Ag3 110.2(4) . .
C23 C24 C25 172.0(13) . .
C23 C24 Ag3 66.1(7) . .
C25 C24 Ag3 118.0(9) . .
C24 C25 C26 113.6(13) . .
C24 C25 C28 105.8(12) . .
C26 C25 C28 109.3(16) . .
C24 C25 C27 111.0(14) . .
C26 C25 C27 109.4(14) . .
C28 C25 C27 107.5(15) . .
C30 C29 Pt1 174.0(9) . .
C30 C29 Ag4 86.2(8) . 2_655
Pt1 C29 Ag4 97.3(4) . 2_655
C30 C29 Ag3 93.0(8) . .
Pt1 C29 Ag3 89.7(4) . .
Ag4 C29 Ag3 115.9(4) 2_655 .
C29 C30 C31 169.2(11) . .
C29 C30 Ag4 64.6(7) . 2_655
C31 C30 Ag4 120.7(8) . 2_655
C33 C31 C30 110.7(12) . .
C33 C31 C34 109.1(16) . .
C30 C31 C34 109.5(11) . .
C33 C31 C32 112.5(15) . .
C30 C31 C32 108.9(10) . .
C34 C31 C32 106.1(13) . .
N3 C35 C36 122.4(14) . .
C37 C36 C35 119.6(14) . .
C36 C37 C38 117.0(13) . .
C39 C38 C37 121.7(14) . .
N3 C39 C38 120.7(12) . .
N3 C39 C40 115.3(10) . .
C38 C39 C40 124.0(12) . .
N4 C40 C41 119.1(12) . .
N4 C40 C39 118.7(10) . .
C41 C40 C39 122.2(11) . .
C40 C41 C42 122.1(15) . .
C43 C42 C41 118.3(15) . .
C42 C43 C44 118.6(14) . .
N4 C44 C43 123.8(13) . .
O3 Cl1 O1 113.7(7) . .
O3 Cl1 O2 110.1(7) . .
O1 Cl1 O2 109.5(6) . .
O3 Cl1 O4 108.9(9) . .
O1 Cl1 O4 105.4(8) . .
O2 Cl1 O4 109.2(8) . .
O6 Cl2 O6 58.8(13) 2_655 .
O6 Cl2 O7 135.8(11) 2_655 .
O6 Cl2 O7 107.0(11) . .
O6 Cl2 O7 107.0(11) 2_655 2_655
O6 Cl2 O7 135.8(11) . 2_655
O7 Cl2 O7 109.2(16) . 2_655
O6 Cl2 O5 110.5(12) 2_655 .
O6 Cl2 O5 111.1(12) . .
O7 Cl2 O5 113.6(11) . .
O7 Cl2 O5 29.4(11) 2_655 .
O6 Cl2 O5 111.1(12) 2_655 2_655
O6 Cl2 O5 110.5(12) . 2_655
O7 Cl2 O5 29.4(11) . 2_655
O7 Cl2 O5 113.5(11) 2_655 2_655
O5 Cl2 O5 132.0(19) . 2_655
O6 Cl2 O8 52.1(10) 2_655 .
O6 Cl2 O8 108.9(13) . .
O7 Cl2 O8 110.1(13) . .
O7 Cl2 O8 81.3(12) 2_655 .
O5 Cl2 O8 106.1(13) . .
O5 Cl2 O8 81.8(13) 2_655 .
O6 Cl2 O8 108.9(13) 2_655 2_655
O6 Cl2 O8 52.1(10) . 2_655
O7 Cl2 O8 81.3(12) . 2_655
O7 Cl2 O8 110.1(13) 2_655 2_655
O5 Cl2 O8 81.8(13) . 2_655
O5 Cl2 O8 106.1(13) 2_655 2_655
O8 Cl2 O8 160.9(19) . 2_655
O7 O5 Cl2 68.9(28) 2_655 .
O8 O6 O6 126.5(16) 2_655 2_655
O8 O6 Cl2 68.7(14) 2_655 .
O6 O6 Cl2 60.6(7) 2_655 .
O5 O7 Cl2 81.7(29) 2_655 .
O6 O8 Cl2 59.2(14) 2_655 .
O11 Cl3 O11 36.4(10) . 2_655
O11 Cl3 O12 131.1(11) . 2_655
O11 Cl3 O12 113.9(11) 2_655 2_655
O11 Cl3 O12 113.9(11) . .
O11 Cl3 O12 131.1(11) 2_655 .
O12 Cl3 O12 112.0(17) 2_655 .
O11 Cl3 O9 75.5(10) . 2_655
O11 Cl3 O9 111.8(11) 2_655 2_655
O12 Cl3 O9 109.0(12) 2_655 2_655
O12 Cl3 O9 66.6(12) . 2_655
O11 Cl3 O9 111.8(11) . .
O11 Cl3 O9 75.5(10) 2_655 .
O12 Cl3 O9 66.6(12) 2_655 .
O12 Cl3 O9 109.0(12) . .
O9 Cl3 O9 172.7(19) 2_655 .
O11 Cl3 O10 116.3(11) . 2_655
O11 Cl3 O10 109.4(11) 2_655 2_655
O12 Cl3 O10 110.4(10) 2_655 2_655
O12 Cl3 O10 36.5(10) . 2_655
O9 Cl3 O10 101.7(12) 2_655 2_655
O9 Cl3 O10 75.2(12) . 2_655
O11 Cl3 O10 109.4(11) . .
O11 Cl3 O10 116.3(11) 2_655 .
O12 Cl3 O10 36.5(10) 2_655 .
O12 Cl3 O10 110.4(10) . .
O9 Cl3 O10 75.2(12) 2_655 .
O9 Cl3 O10 101.7(12) . .
O10 Cl3 O10 131.9(17) 2_655 .
Cl3 O9 O12 56.2(11) . 2_655
Cl3 O9 O11 50.8(8) . 2_655
O12 O9 O11 90.8(15) 2_655 2_655
Cl3 O9 O10 53.0(10) . 2_655
O12 O9 O10 90.0(14) 2_655 2_655
O11 O9 O10 83.2(13) 2_655 2_655
O12 O10 Cl3 69.4(22) 2_655 .
O12 O10 O9 117.5(28) 2_655 2_655
Cl3 O10 O9 51.8(10) . 2_655
O11 O11 Cl3 71.8(5) 2_655 .
O11 O11 O9 125.4(9) 2_655 2_655
Cl3 O11 O9 53.7(8) . 2_655
O10 O12 Cl3 74.1(23) 2_655 .
O10 O12 O9 128.7(29) 2_655 2_655
Cl3 O12 O9 57.2(11) . 2_655
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 C29 2.019(11) .
Pt1 C1 2.022(11) .
Pt1 C7 2.035(11) .
Pt1 C23 2.036(11) .
Pt1 Ag4 3.0172(9) .
Pt1 Ag2 3.0566(10) 2_655
Pt1 Ag2 3.1595(10) .
Pt1 Ag4 3.2165(10) 2_655
Pt1 Ag3 3.2380(11) .
Pt1 Ag1 3.2802(10) .
Ag1 N1 2.322(9) .
Ag1 C1 2.377(10) .
Ag1 N2 2.378(9) .
Ag1 C7 2.567(10) .
Ag1 C2 2.612(12) .
Ag2 C1 2.221(11) 2_655
Ag2 C7 2.277(10) .
Ag2 C8 2.487(12) .
Ag2 Pt1 3.0568(10) 2_655
Ag2 Ag2 3.177(2) 2_655
Ag2 Ag4 3.3093(12) .
Ag3 N4 2.305(9) .
Ag3 C23 2.364(9) .
Ag3 N3 2.376(10) .
Ag3 C29 2.541(11) .
Ag3 C24 2.579(11) .
Ag4 C23 2.249(10) .
Ag4 C29 2.259(10) 2_655
Ag4 C30 2.495(11) 2_655
Ag4 Ag4 3.141(2) 2_655
Ag4 Pt1 3.2165(10) 2_655
N1 C13 1.332(13) .
N1 C17 1.349(12) .
N2 C18 1.343(13) .
N2 C22 1.378(13) .
N3 C39 1.331(14) .
N3 C35 1.34(2) .
N4 C44 1.334(14) .
N4 C40 1.341(13) .
C1 C2 1.224(14) .
C1 Ag2 2.221(11) 2_655
C2 C3 1.506(15) .
C3 C6 1.51(2) .
C3 C5 1.52(2) .
C3 C4 1.54(2) .
C7 C8 1.219(13) .
C8 C9 1.505(14) .
C9 C12 1.46(4) .
C9 C11' 1.52(3) .
C9 C10 1.55(3) .
C9 C10' 1.56(3) .
C9 C12' 1.57(3) .
C9 C11 1.59(4) .
C10 C10' 1.17(4) .
C10 C12' 1.86(4) .
C10' C11 1.67(5) .
C11 C11' 1.32(4) .
C11' C12 1.46(4) .
C12 C12' 1.26(4) .
C13 C14 1.381(14) .
C14 C15 1.34(2) .
C15 C16 1.377(15) .
C16 C17 1.373(14) .
C17 C18 1.468(15) .
C18 C19 1.36(2) .
C19 C20 1.39(2) .
C20 C21 1.36(2) .
C21 C22 1.33(2) .
C23 C24 1.206(14) .
C24 C25 1.44(2) .
C25 C26 1.48(2) .
C25 C28 1.48(2) .
C25 C27 1.50(2) .
C29 C30 1.220(13) .
C29 Ag4 2.259(10) 2_655
C30 C31 1.483(15) .
C30 Ag4 2.495(11) 2_655
C31 C33 1.47(2) .
C31 C34 1.49(2) .
C31 C32 1.50(2) .
C35 C36 1.37(2) .
C36 C37 1.36(2) .
C37 C38 1.38(2) .
C38 C39 1.35(2) .
C39 C40 1.50(2) .
C40 C41 1.37(2) .
C41 C42 1.37(2) .
C42 C43 1.32(2) .
C43 C44 1.37(2) .
Cl1 O3 1.381(11) .
Cl1 O1 1.417(9) .
Cl1 O2 1.429(9) .
Cl1 O4 1.454(12) .
Cl2 O6 1.38(2) 2_655
Cl2 O6 1.38(2) .
Cl2 O7 1.40(2) .
Cl2 O7 1.40(2) 2_655
Cl2 O5 1.49(2) .
Cl2 O5 1.49(2) 2_655
Cl2 O8 1.50(3) .
Cl2 O8 1.50(3) 2_655
O5 O7 0.74(3) 2_655
O6 O8 1.27(3) 2_655
O6 O6 1.36(3) 2_655
O7 O5 0.74(3) 2_655
O8 O6 1.27(3) 2_655
Cl3 O11 1.375(13) .
Cl3 O11 1.375(13) 2_655
Cl3 O12 1.41(2) 2_655
Cl3 O12 1.41(2) .
Cl3 O9 1.43(2) 2_655
Cl3 O9 1.43(2) .
Cl3 O10 1.45(2) 2_655
Cl3 O10 1.45(2) .
O9 O12 1.56(3) 2_655
O9 O11 1.72(2) 2_655
O9 O10 1.76(3) 2_655
O10 O12 0.90(2) 2_655
O10 O9 1.76(3) 2_655
O11 O11 0.86(2) 2_655
O11 O9 1.72(2) 2_655
O12 O10 0.90(2) 2_655
O12 O9 1.56(3) 2_655
