#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/85/4308545.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_4308545
loop_
_publ_author_name
'Nancy L. S. Yue'
'Michael C. Jennings'
'Richard J. Puddephatt'
_publ_section_title
;
Disilver(I) Macrocycles: Variation of Cavity Size with Anion Binding
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1125
_journal_page_last               1131
_journal_paper_doi               10.1021/ic048549c
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C44.5 H48 Ag2 Cl3 F12 N8 O5.5 P2'
_chemical_formula_weight         1394.94
_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                 109.061(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.4093(13)
_cell_length_b                   20.7821(7)
_cell_length_c                   19.9364(9)
_cell_measurement_temperature    150(2)
_cell_volume                     11125.2(8)
_computing_cell_refinement       'Nonius DENZO'
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        'Nonius DENZO'
_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      150(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'phi/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  0.068
_diffrn_reflns_av_sigmaI/netI    0.0662
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24584
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.70
_exptl_absorpt_coefficient_mu    0.997
_exptl_absorpt_correction_T_max  0.8813
_exptl_absorpt_correction_T_min  0.7031
_exptl_absorpt_correction_type   integration
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.666
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5584
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.309
_refine_diff_density_min         -1.448
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     726
_refine_ls_number_reflns         9601
_refine_ls_number_restraints     14
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1253
_refine_ls_R_factor_gt           0.0882
_refine_ls_shift/su_max          3.449
_refine_ls_shift/su_mean         0.090
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1650P)²+81.6257P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2384
_refine_ls_wR_factor_ref         0.2814
_reflns_number_gt                6362
_reflns_number_total             9601
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic048549csi20041015_044205_6.cif
_cod_data_source_block           2e.ch2cl2
_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 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_formula_sum        'C44.50 H48 Ag2 Cl3 F12 N8 O5.50 P2'
_cod_database_code               4308545
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.23004(3) 0.28935(4) 0.06843(4) 0.0642(3) Uani 1 1 d . . .
Ag2 Ag 0.01022(3) 0.42986(4) 0.05074(4) 0.0716(3) Uani 1 1 d . . .
N11 N 0.1927(3) 0.2037(4) 0.0237(4) 0.0529(17) Uani 1 1 d . . .
C12 C 0.1455(3) 0.2010(4) -0.0210(4) 0.0499(19) Uani 1 1 d . . .
H12A H 0.1283 0.2401 -0.0378 0.060 Uiso 1 1 calc R . .
C13 C 0.1215(3) 0.1439(4) -0.0431(4) 0.0488(19) Uani 1 1 d . . .
H13A H 0.0890 0.1439 -0.0771 0.059 Uiso 1 1 calc R . .
C14 C 0.1440(3) 0.0860(4) -0.0161(4) 0.0438(17) Uani 1 1 d . . .
C15 C 0.1930(3) 0.0887(4) 0.0273(5) 0.055(2) Uani 1 1 d . . .
H15A H 0.2107 0.0501 0.0447 0.065 Uiso 1 1 calc R . .
C16 C 0.2163(3) 0.1470(5) 0.0454(5) 0.054(2) Uani 1 1 d . . .
H16A H 0.2503 0.1476 0.0743 0.065 Uiso 1 1 calc R . .
N17 N 0.1202(3) 0.0272(3) -0.0348(4) 0.0520(17) Uani 1 1 d . . .
C18 C 0.1507(4) -0.0313(4) -0.0315(6) 0.072(3) Uani 1 1 d . . .
H18A H 0.1860 -0.0197 -0.0150 0.107 Uiso 1 1 calc R . .
H18B H 0.1420 -0.0506 -0.0789 0.107 Uiso 1 1 calc R . .
H18C H 0.1441 -0.0623 0.0014 0.107 Uiso 1 1 calc R . .
C19 C 0.0686(3) 0.0188(4) -0.0590(5) 0.054(2) Uani 1 1 d . . .
O20 O 0.0489(3) -0.0246(3) -0.1000(3) 0.0631(16) Uani 1 1 d . . .
N21 N -0.0336(3) 0.3533(4) -0.0068(4) 0.0583(18) Uani 1 1 d . . .
C22 C -0.0161(3) 0.3113(5) -0.0441(5) 0.056(2) Uani 1 1 d . . .
H22A H 0.0154 0.3198 -0.0493 0.068 Uiso 1 1 calc R . .
C23 C -0.0411(3) 0.2569(4) -0.0749(4) 0.0497(19) Uani 1 1 d . . .
H23A H -0.0275 0.2293 -0.1019 0.060 Uiso 1 1 calc R . .
C24 C -0.0866(3) 0.2424(4) -0.0662(5) 0.054(2) Uani 1 1 d . . .
C25 C -0.1062(3) 0.2863(5) -0.0311(5) 0.062(2) Uani 1 1 d . . .
H25A H -0.1382 0.2798 -0.0270 0.074 Uiso 1 1 calc R . .
C26 C -0.0785(4) 0.3402(5) -0.0020(6) 0.069(3) Uani 1 1 d . . .
H26A H -0.0922 0.3697 0.0230 0.083 Uiso 1 1 calc R . .
N27 N -0.1132(3) 0.1852(4) -0.0952(4) 0.0570(18) Uani 1 1 d . . .
C28 C -0.1675(3) 0.1911(5) -0.1311(6) 0.068(3) Uani 1 1 d . . .
H28A H -0.1815 0.1487 -0.1478 0.102 Uiso 1 1 calc R . .
H28B H -0.1739 0.2204 -0.1716 0.102 Uiso 1 1 calc R . .
H28C H -0.1831 0.2081 -0.0976 0.102 Uiso 1 1 calc R . .
C29 C -0.0925(3) 0.1248(4) -0.0913(4) 0.049(2) Uani 1 1 d . . .
O30 O -0.1168(2) 0.0808(3) -0.1248(3) 0.0610(16) Uani 1 1 d . . .
N31 N 0.2722(2) 0.3699(3) 0.1212(4) 0.0505(16) Uani 1 1 d . . .
C32 C 0.2548(3) 0.4306(4) 0.1151(4) 0.0478(19) Uani 1 1 d . . .
H32A H 0.2222 0.4386 0.0833 0.057 Uiso 1 1 calc R . .
C33 C 0.2815(3) 0.4812(4) 0.1523(4) 0.0451(18) Uani 1 1 d . . .
H33A H 0.2674 0.5231 0.1473 0.054 Uiso 1 1 calc R . .
C34 C 0.3296(3) 0.4707(4) 0.1976(4) 0.0416(17) Uani 1 1 d . . .
C35 C 0.3485(3) 0.4083(4) 0.2022(4) 0.0437(17) Uani 1 1 d . . .
H35A H 0.3816 0.3992 0.2316 0.052 Uiso 1 1 calc R . .
C36 C 0.3189(3) 0.3605(4) 0.1637(4) 0.0473(18) Uani 1 1 d . . .
H36A H 0.3322 0.3182 0.1673 0.057 Uiso 1 1 calc R . .
N37 N 0.3587(2) 0.5210(3) 0.2383(4) 0.0431(15) Uani 1 1 d . . .
C38 C 0.4121(3) 0.5245(4) 0.2455(5) 0.054(2) Uani 1 1 d . . .
H38A H 0.4274 0.5609 0.2761 0.082 Uiso 1 1 calc R . .
H38B H 0.4155 0.5305 0.1986 0.082 Uiso 1 1 calc R . .
H38C H 0.4286 0.4845 0.2666 0.082 Uiso 1 1 calc R . .
C39 C 0.3402(3) 0.5677(3) 0.2716(4) 0.0412(17) Uani 1 1 d . . .
O40 O 0.3646(2) 0.6168(3) 0.2958(3) 0.0539(14) Uani 1 1 d . . .
N41 N 0.0533(3) 0.5048(4) 0.1149(4) 0.0596(19) Uani 1 1 d . . .
C42 C 0.0985(3) 0.5235(4) 0.1130(5) 0.054(2) Uani 1 1 d . . .
H42A H 0.1123 0.5022 0.0816 0.065 Uiso 1 1 calc R . .
C43 C 0.1250(3) 0.5723(4) 0.1548(4) 0.0487(19) Uani 1 1 d . . .
H43A H 0.1563 0.5849 0.1515 0.058 Uiso 1 1 calc R . .
C44 C 0.1058(3) 0.6032(4) 0.2021(4) 0.0441(18) Uani 1 1 d . . .
C45 C 0.0592(3) 0.5843(4) 0.2026(5) 0.0494(19) Uani 1 1 d . . .
H45A H 0.0446 0.6051 0.2334 0.059 Uiso 1 1 calc R . .
C46 C 0.0340(3) 0.5362(4) 0.1594(5) 0.053(2) Uani 1 1 d . . .
H46A H 0.0020 0.5242 0.1605 0.064 Uiso 1 1 calc R . .
N47 N 0.1307(2) 0.6552(3) 0.2455(3) 0.0432(15) Uani 1 1 d . . .
C48 C 0.1015(3) 0.7095(4) 0.2571(5) 0.054(2) Uani 1 1 d . . .
H48A H 0.1237 0.7406 0.2891 0.080 Uiso 1 1 calc R . .
H48B H 0.0771 0.6940 0.2784 0.080 Uiso 1 1 calc R . .
H48C H 0.0841 0.7303 0.2116 0.080 Uiso 1 1 calc R . .
C49 C 0.1813(3) 0.6599(4) 0.2774(4) 0.0441(18) Uani 1 1 d . . .
O50 O 0.2002(2) 0.7110(2) 0.3041(3) 0.0538(15) Uani 1 1 d . . .
C51 C 0.0376(3) 0.0612(4) -0.0291(4) 0.0470(19) Uani 1 1 d . . .
C52 C -0.0099(3) 0.0751(4) -0.0702(4) 0.0470(19) Uani 1 1 d . . .
H52A H -0.0226 0.0580 -0.1168 0.056 Uiso 1 1 calc R . .
C53 C -0.0397(3) 0.1138(4) -0.0447(4) 0.0475(19) Uani 1 1 d . . .
C54 C -0.0218(3) 0.1366(4) 0.0249(4) 0.0502(19) Uani 1 1 d . . .
H54A H -0.0422 0.1627 0.0431 0.060 Uiso 1 1 calc R . .
C55 C 0.0258(3) 0.1208(4) 0.0668(4) 0.053(2) Uani 1 1 d . . .
H55A H 0.0379 0.1358 0.1143 0.063 Uiso 1 1 calc R . .
C56 C 0.0562(3) 0.0831(4) 0.0403(4) 0.052(2) Uani 1 1 d . . .
H56A H 0.0892 0.0727 0.0693 0.062 Uiso 1 1 calc R . .
C61 C 0.2914(3) 0.5575(4) 0.2834(4) 0.0403(17) Uani 1 1 d . . .
C62 C 0.2587(3) 0.6090(3) 0.2736(4) 0.0415(17) Uani 1 1 d . . .
H62A H 0.2676 0.6497 0.2596 0.050 Uiso 1 1 calc R . .
C63 C 0.2132(3) 0.6013(4) 0.2839(4) 0.0447(18) Uani 1 1 d . . .
C64 C 0.2016(3) 0.5429(4) 0.3083(4) 0.0455(18) Uani 1 1 d . . .
H64A H 0.1708 0.5380 0.3169 0.055 Uiso 1 1 calc R . .
C65 C 0.2344(3) 0.4920(4) 0.3201(4) 0.0463(18) Uani 1 1 d . . .
H65A H 0.2262 0.4520 0.3366 0.056 Uiso 1 1 calc R . .
C66 C 0.2797(3) 0.4996(3) 0.3078(4) 0.0457(18) Uani 1 1 d . . .
H66A H 0.3026 0.4648 0.3162 0.055 Uiso 1 1 calc R . .
P70 P 0.5000 0.34059(12) 0.2500 0.0365(6) Uani 1 2 d S . .
F71 F 0.5283(2) 0.2866(3) 0.3045(3) 0.0732(16) Uani 1 1 d . . .
F72 F 0.52915(17) 0.3948(2) 0.3038(3) 0.0606(13) Uani 1 1 d . . .
F73 F 0.54337(15) 0.3405(2) 0.2148(2) 0.0443(10) Uani 1 1 d . . .
P80 P 0.11608(9) 0.40759(14) -0.05766(14) 0.0639(7) Uani 1 1 d . . .
F81 F 0.1329(3) 0.3778(5) 0.0199(4) 0.133(3) Uani 1 1 d . . .
F82 F 0.1508(3) 0.4651(4) -0.0257(4) 0.115(3) Uani 1 1 d . . .
F83 F 0.0998(3) 0.4379(4) -0.1342(3) 0.105(2) Uani 1 1 d . . .
F84 F 0.0822(3) 0.3474(5) -0.0865(6) 0.142(4) Uani 1 1 d . . .
F85 F 0.0707(2) 0.4418(4) -0.0415(3) 0.100(2) Uani 1 1 d . . .
F86 F 0.1603(3) 0.3714(4) -0.0738(4) 0.104(2) Uani 1 1 d . . .
P90 P 0.2504(5) 0.8401(6) -0.0473(9) 0.202(11) Uani 0.50 1 d PD A 1
F91 F 0.2446(14) 0.7782(10) -0.0946(18) 0.36(3) Uani 0.50 1 d PD A 1
F92 F 0.2128(9) 0.8158(11) -0.0109(16) 0.238(19) Uani 0.50 1 d PD A 1
F93 F 0.2061(7) 0.8672(10) -0.1125(11) 0.154(9) Uani 0.50 1 d PD A 1
F94 F 0.2909(9) 0.7994(16) 0.007(2) 0.26(2) Uani 0.50 1 d PD A 1
F95 F 0.2505(11) 0.8984(15) 0.000(2) 0.30(3) Uani 0.50 1 d PD A 1
F96 F 0.2906(10) 0.8768(14) -0.075(2) 0.198(13) Uani 0.50 1 d PD A 1
C100 C 0.243(3) 0.854(4) -0.030(3) 0.54(12) Uani 0.50 1 d PD B 2
H10A H 0.2084 0.8686 -0.0378 0.645 Uiso 0.50 1 calc PR B 2
H10B H 0.2489 0.8151 0.0009 0.645 Uiso 0.50 1 calc PR B 2
Cl11 Cl 0.2504(8) 0.8347(6) -0.1104(6) 0.188(7) Uani 0.50 1 d PD B 2
Cl12 Cl 0.2844(7) 0.9132(7) 0.0102(9) 0.188(5) Uani 0.50 1 d PD B 2
C200 C 0.1258(5) 0.2646(9) 0.1446(13) 0.186(11) Uani 1 1 d D . .
H20A H 0.1278 0.2622 0.0961 0.223 Uiso 1 1 calc R . .
H20B H 0.1269 0.2198 0.1619 0.223 Uiso 1 1 calc R . .
Cl21 Cl 0.1791(3) 0.3020(5) 0.1968(5) 0.245(4) Uani 1 1 d D . .
Cl22 Cl 0.0716(3) 0.2927(4) 0.1377(5) 0.232(4) Uani 1 1 d D . .
O401 O 0.4639(9) 0.8934(11) 0.1719(14) 0.236(8) Uiso 1 1 d D . .
H40A H 0.4889 0.8989 0.2082 0.353 Uiso 1 1 calc R . .
C402 C 0.4252(15) 0.9112(17) 0.185(2) 0.272(17) Uiso 1 1 d D . .
H40B H 0.4223 0.9572 0.1710 0.327 Uiso 1 1 calc R . .
H40C H 0.4360 0.9112 0.2372 0.327 Uiso 1 1 calc R . .
C403 C 0.3724(18) 0.890(3) 0.164(3) 0.48(4) Uiso 1 1 d D . .
H40D H 0.3540 0.9192 0.1856 0.724 Uiso 1 1 calc R . .
H40E H 0.3709 0.8462 0.1814 0.724 Uiso 1 1 calc R . .
H40F H 0.3574 0.8912 0.1125 0.724 Uiso 1 1 calc R . .
O501 O 0.4777(16) 0.712(3) 0.196(4) 0.33(3) Uiso 0.50 1 d PD C -1
H50A H 0.4953 0.6826 0.1875 0.492 Uiso 0.50 1 calc PR C -1
C502 C 0.4335(12) 0.6934(18) 0.1790(18) 0.129(11) Uiso 0.50 1 d PD C -1
H50B H 0.4258 0.7037 0.2229 0.155 Uiso 0.50 1 calc PR C -1
H50C H 0.4381 0.6462 0.1807 0.155 Uiso 0.50 1 calc PR C -1
C503 C 0.3840(8) 0.6988(11) 0.1259(12) 0.078(6) Uiso 0.50 1 d PD C -1
H50D H 0.3616 0.6673 0.1362 0.117 Uiso 0.50 1 calc PR C -1
H50E H 0.3862 0.6905 0.0786 0.117 Uiso 0.50 1 calc PR C -1
H50F H 0.3709 0.7423 0.1273 0.117 Uiso 0.50 1 calc PR C -1
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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
N11 Ag1 N31 174.5(3) . . ?
N21 Ag2 N41 176.1(3) . . ?
C12 N11 C16 117.1(7) . . ?
C12 N11 Ag1 124.6(6) . . ?
C16 N11 Ag1 118.1(5) . . ?
N11 C12 C13 122.2(8) . . ?
C12 C13 C14 120.6(8) . . ?
C15 C14 N17 120.6(7) . . ?
C15 C14 C13 116.8(8) . . ?
N17 C14 C13 122.4(7) . . ?
C16 C15 C14 120.2(8) . . ?
N11 C16 C15 122.6(8) . . ?
C14 N17 C19 124.7(7) . . ?
C14 N17 C18 118.9(7) . . ?
C19 N17 C18 116.4(7) . . ?
O20 C19 N17 121.5(9) . . ?
O20 C19 C51 119.9(8) . . ?
N17 C19 C51 118.3(8) . . ?
C26 N21 C22 116.2(8) . . ?
C26 N21 Ag2 121.4(6) . . ?
C22 N21 Ag2 122.0(6) . . ?
N21 C22 C23 123.7(8) . . ?
C22 C23 C24 119.2(8) . . ?
C25 C24 C23 117.9(8) . . ?
C25 C24 N27 120.8(7) . . ?
C23 C24 N27 121.3(8) . . ?
C24 C25 C26 118.9(8) . . ?
N21 C26 C25 124.0(9) . . ?
C29 N27 C24 125.3(7) . . ?
C29 N27 C28 117.4(7) . . ?
C24 N27 C28 117.3(8) . . ?
O30 C29 N27 120.2(8) . . ?
O30 C29 C53 120.1(8) . . ?
N27 C29 C53 119.7(7) . . ?
C36 N31 C32 117.2(7) . . ?
C36 N31 Ag1 118.7(6) . . ?
C32 N31 Ag1 124.1(5) . . ?
N31 C32 C33 123.3(7) . . ?
C32 C33 C34 119.1(8) . . ?
C33 C34 C35 117.8(7) . . ?
C33 C34 N37 121.6(7) . . ?
C35 C34 N37 120.6(7) . . ?
C36 C35 C34 119.1(7) . . ?
N31 C36 C35 123.5(7) . . ?
C39 N37 C34 123.8(6) . . ?
C39 N37 C38 117.3(6) . . ?
C34 N37 C38 118.9(6) . . ?
O40 C39 N37 121.1(7) . . ?
O40 C39 C61 119.0(7) . . ?
N37 C39 C61 119.7(6) . . ?
C46 N41 C42 118.1(7) . . ?
C46 N41 Ag2 118.0(6) . . ?
C42 N41 Ag2 123.9(6) . . ?
N41 C42 C43 122.2(8) . . ?
C42 C43 C44 119.7(8) . . ?
C45 C44 C43 117.4(7) . . ?
C45 C44 N47 120.0(7) . . ?
C43 C44 N47 122.5(7) . . ?
C46 C45 C44 120.7(8) . . ?
N41 C46 C45 121.8(8) . . ?
C49 N47 C44 125.1(6) . . ?
C49 N47 C48 115.7(6) . . ?
C44 N47 C48 119.2(6) . . ?
O50 C49 N47 120.4(7) . . ?
O50 C49 C63 119.8(6) . . ?
N47 C49 C63 119.7(7) . . ?
C52 C51 C56 120.7(8) . . ?
C52 C51 C19 118.8(8) . . ?
C56 C51 C19 120.5(8) . . ?
C51 C52 C53 120.7(8) . . ?
C52 C53 C54 119.7(8) . . ?
C52 C53 C29 118.1(7) . . ?
C54 C53 C29 122.0(8) . . ?
C55 C54 C53 119.3(8) . . ?
C54 C55 C56 120.9(8) . . ?
C55 C56 C51 118.7(8) . . ?
C66 C61 C62 119.7(7) . . ?
C66 C61 C39 121.4(7) . . ?
C62 C61 C39 118.8(7) . . ?
C63 C62 C61 120.4(7) . . ?
C62 C63 C64 119.7(7) . . ?
C62 C63 C49 117.6(7) . . ?
C64 C63 C49 122.2(7) . . ?
C65 C64 C63 120.4(7) . . ?
C64 C65 C66 119.6(7) . . ?
C61 C66 C65 120.1(7) . . ?
F71 P70 F71 89.9(5) 2_655 . ?
F71 P70 F72 178.9(3) 2_655 . ?
F71 P70 F72 90.2(3) . . ?
F71 P70 F72 90.2(3) 2_655 2_655 ?
F71 P70 F72 178.9(3) . 2_655 ?
F72 P70 F72 89.7(4) . 2_655 ?
F71 P70 F73 90.5(3) 2_655 2_655 ?
F71 P70 F73 89.5(2) . 2_655 ?
F72 P70 F73 90.6(2) . 2_655 ?
F72 P70 F73 89.5(2) 2_655 2_655 ?
F71 P70 F73 89.5(2) 2_655 . ?
F71 P70 F73 90.5(3) . . ?
F72 P70 F73 89.5(2) . . ?
F72 P70 F73 90.6(2) 2_655 . ?
F73 P70 F73 179.9(4) 2_655 . ?
F82 P80 F84 177.1(6) . . ?
F82 P80 F83 92.0(5) . . ?
F84 P80 F83 90.8(5) . . ?
F82 P80 F81 87.2(5) . . ?
F84 P80 F81 90.0(6) . . ?
F83 P80 F81 179.3(6) . . ?
F82 P80 F86 90.5(5) . . ?
F84 P80 F86 88.8(5) . . ?
F83 P80 F86 89.7(4) . . ?
F81 P80 F86 90.4(5) . . ?
F82 P80 F85 91.2(5) . . ?
F84 P80 F85 89.4(4) . . ?
F83 P80 F85 90.9(4) . . ?
F81 P80 F85 89.1(4) . . ?
F86 P80 F85 178.2(5) . . ?
F95 P90 F94 98(2) . . ?
F95 P90 F92 80.4(11) . . ?
F94 P90 F92 87.8(12) . . ?
F95 P90 F91 173.5(18) . . ?
F94 P90 F91 83(2) . . ?
F92 P90 F91 93.5(17) . . ?
F95 P90 F93 93.8(17) . . ?
F94 P90 F93 167(2) . . ?
F92 P90 F93 90.9(13) . . ?
F91 P90 F93 84.2(15) . . ?
F95 P90 F96 89(2) . . ?
F94 P90 F96 92.8(14) . . ?
F92 P90 F96 169(2) . . ?
F91 P90 F96 97.5(19) . . ?
F93 P90 F96 90.9(14) . . ?
Cl12 C100 Cl11 108.8(17) . . ?
Cl22 C200 Cl21 121.2(12) . . ?
O401 C402 C403 137(4) . . ?
O501 C502 C503 145(4) . . ?
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
Ag1 N11 2.113(7) . ?
Ag1 N31 2.128(6) . ?
Ag2 N21 2.113(7) . ?
Ag2 N41 2.130(7) . ?
N11 C12 1.349(10) . ?
N11 C16 1.355(12) . ?
C12 C13 1.369(12) . ?
C13 C14 1.387(11) . ?
C14 C15 1.380(11) . ?
C14 N17 1.387(10) . ?
C15 C16 1.370(13) . ?
N17 C19 1.396(11) . ?
N17 C18 1.483(12) . ?
C19 O20 1.223(10) . ?
C19 C51 1.500(12) . ?
N21 C26 1.337(12) . ?
N21 C22 1.344(12) . ?
C22 C23 1.369(12) . ?
C23 C24 1.394(11) . ?
C24 C25 1.372(13) . ?
C24 N27 1.426(11) . ?
C25 C26 1.382(13) . ?
N27 C29 1.378(12) . ?
N27 C28 1.478(11) . ?
C29 O30 1.208(10) . ?
C29 C53 1.501(11) . ?
N31 C36 1.334(10) . ?
N31 C32 1.345(10) . ?
C32 C33 1.366(11) . ?
C33 C34 1.387(10) . ?
C34 C35 1.396(11) . ?
C34 N37 1.413(10) . ?
C35 C36 1.364(11) . ?
N37 C39 1.374(10) . ?
N37 C38 1.477(9) . ?
C39 O40 1.238(9) . ?
C39 C61 1.496(10) . ?
N41 C46 1.353(11) . ?
N41 C42 1.354(11) . ?
C42 C43 1.370(11) . ?
C43 C44 1.392(11) . ?
C44 C45 1.386(11) . ?
C44 N47 1.420(9) . ?
C45 C46 1.360(12) . ?
N47 C49 1.371(9) . ?
N47 C48 1.464(9) . ?
C49 O50 1.230(9) . ?
C49 C63 1.500(10) . ?
C51 C52 1.360(11) . ?
C51 C56 1.389(12) . ?
C52 C53 1.382(12) . ?
C53 C54 1.394(12) . ?
C54 C55 1.377(12) . ?
C55 C56 1.392(12) . ?
C61 C66 1.379(11) . ?
C61 C62 1.387(10) . ?
C62 C63 1.382(11) . ?
C63 C64 1.387(11) . ?
C64 C65 1.378(11) . ?
C65 C66 1.398(11) . ?
P70 F71 1.586(5) 2_655 ?
P70 F71 1.586(5) . ?
P70 F72 1.589(5) . ?
P70 F72 1.589(5) 2_655 ?
P70 F73 1.605(4) 2_655 ?
P70 F73 1.605(4) . ?
P80 F82 1.548(8) . ?
P80 F84 1.568(8) . ?
P80 F83 1.575(7) . ?
P80 F81 1.588(8) . ?
P80 F86 1.585(7) . ?
P80 F85 1.595(7) . ?
P90 F95 1.54(2) . ?
P90 F94 1.551(17) . ?
P90 F92 1.559(16) . ?
P90 F91 1.57(2) . ?
P90 F93 1.587(18) . ?
P90 F96 1.609(18) . ?
C100 Cl12 1.72(2) . ?
C100 Cl11 1.73(2) . ?
C200 Cl22 1.610(14) . ?
C200 Cl21 1.719(15) . ?
O401 C402 1.26(3) . ?
C402 C403 1.49(3) . ?
O501 C502 1.25(3) . ?
C502 C503 1.46(3) . ?
