#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:31:04 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179144 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/05/4310573.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_4310573
loop_
_publ_author_name
'Kevin K. Klausmeyer'
'Rodney P. Feazell'
'Joseph H. Reibenspies'
_publ_section_title
;
 Two-, Three-, and Four-Coordinate Ag(I) Coordination Polymers Formed by
 the Novel Phosphinite PPh2(3-OCH2C5H4N)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1130
_journal_page_last               1136
_journal_paper_doi               10.1021/ic035168a
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C78 H68 Ag4 Cl4 F12 N4 O16 P4 S4'
_chemical_formula_weight         2370.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 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                 115.441(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   17.972(5)
_cell_length_b                   10.191(3)
_cell_length_c                   27.936(8)
_cell_measurement_reflns_used    6873
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      27.33
_cell_measurement_theta_min      2.31
_cell_volume                     4620(2)
_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      110(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       phi
_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  0.0444
_diffrn_reflns_av_sigmaI/netI    0.0602
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            47570
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         2.31
_exptl_absorpt_coefficient_mu    1.198
_exptl_absorpt_correction_type   mutli-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.704
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.776
_refine_diff_density_min         -0.972
_refine_diff_density_rms         0.168
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1106
_refine_ls_number_reflns         18852
_refine_ls_number_restraints     201
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0693
_refine_ls_R_factor_gt           0.0624
_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)+(0.0832P)²+9.0514P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1531
_refine_ls_wR_factor_ref         0.1577
_reflns_number_gt                16932
_reflns_number_total             18852
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035168asi20031008_035131_2.cif
_cod_data_source_block           kk33a
_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_database_code               4310573
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, 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 0.92466(10) 0.45536(6) 0.53313(7) 0.02563(15) Uani 1 1 d . . .
Ag2 Ag 0.43935(10) 0.66909(6) 0.54750(7) 0.02800(16) Uani 1 1 d . . .
Ag3 Ag 0.27057(10) 0.42219(6) 0.39195(7) 0.02501(15) Uani 1 1 d . . .
Ag4 Ag 0.76178(10) 0.64013(6) 0.37858(7) 0.02467(15) Uani 1 1 d . . .
Cl1 Cl 0.5644(2) 0.8837(4) 0.25688(15) 0.0683(9) Uani 1 1 d . . .
Cl2 Cl 0.5846(3) 0.9669(4) 0.16345(17) 0.0786(10) Uani 1 1 d . . .
S1 S 0.90682(18) 0.7804(2) 0.49950(12) 0.0343(5) Uani 1 1 d . . .
S2 S 0.41600(16) 0.3445(2) 0.52015(11) 0.0265(5) Uani 1 1 d . . .
S3 S 0.29180(15) 0.7480(2) 0.42061(10) 0.0241(4) Uani 1 1 d . . .
S4 S 0.79140(16) 0.3212(2) 0.41248(11) 0.0240(4) Uani 1 1 d . . .
P1 P 0.86727(16) 0.4516(2) 0.59387(11) 0.0221(5) Uani 1 1 d . . .
P2 P 0.38003(16) 0.6754(2) 0.60754(11) 0.0240(5) Uani 1 1 d . . .
P3 P 0.33005(16) 0.4196(2) 0.33148(11) 0.0212(4) Uani 1 1 d . . .
P4 P 0.82472(16) 0.6381(2) 0.31995(10) 0.0198(4) Uani 1 1 d . . .
C19 C 0.9677(4) 0.8861(6) 0.4780(2) 0.063(4) Uani 0.651(8) 1 d PD A 1
F1 F 0.9591(6) 0.8750(9) 0.4295(2) 0.0573(14) Uiso 0.651(8) 1 d PD A 1
F2 F 0.9525(6) 1.0141(8) 0.4871(3) 0.0573(14) Uiso 0.651(8) 1 d PD A 1
F3 F 1.0460(4) 0.8653(9) 0.5122(3) 0.0573(14) Uiso 0.651(8) 1 d PD A 1
C19A C 0.9677(4) 0.8861(6) 0.4780(2) 0.063(4) Uani 0.349(8) 1 d PD A 2
F1A F 0.9926(10) 1.0032(10) 0.4995(6) 0.0573(14) Uiso 0.349(8) 1 d PD A 2
F2A F 1.0353(7) 0.8217(15) 0.4792(7) 0.0573(14) Uiso 0.349(8) 1 d PD A 2
F3A F 0.9183(9) 0.9028(16) 0.4267(3) 0.0573(14) Uiso 0.349(8) 1 d PD A 2
C38 C 0.4767(3) 0.2137(6) 0.50879(17) 0.047(3) Uani 0.670(16) 1 d PD B 1
F4 F 0.5534(4) 0.2051(12) 0.5433(3) 0.0574(14) Uiso 0.670(16) 1 d PD B 1
F5 F 0.4374(6) 0.0966(8) 0.5076(5) 0.0574(14) Uiso 0.670(16) 1 d PD B 1
F6 F 0.4716(6) 0.2260(11) 0.4599(2) 0.0574(14) Uiso 0.670(16) 1 d PD B 1
C38A C 0.4767(3) 0.2137(6) 0.50879(17) 0.047(3) Uani 0.330(16) 1 d PD B 2
F4A F 0.4677(11) 0.1857(19) 0.4611(3) 0.0574(14) Uiso 0.330(16) 1 d PD B 2
F5A F 0.5563(7) 0.256(2) 0.5387(7) 0.0574(14) Uiso 0.330(16) 1 d PD B 2
F6A F 0.4694(13) 0.1056(13) 0.5335(8) 0.0574(14) Uiso 0.330(16) 1 d PD B 2
C57 C 0.1987(6) 0.8479(7) 0.3981(3) 0.082(5) Uani 0.49(2) 1 d PD C 1
F7 F 0.1424(10) 0.7915(14) 0.3548(5) 0.0698(17) Uiso 0.49(2) 1 d PD C 1
F8 F 0.1634(13) 0.8692(15) 0.4317(7) 0.0698(17) Uiso 0.49(2) 1 d PD C 1
F9 F 0.2199(10) 0.9637(10) 0.3862(7) 0.0698(17) Uiso 0.49(2) 1 d PD C 1
C57A C 0.1987(6) 0.8479(7) 0.3981(3) 0.082(5) Uani 0.51(2) 1 d PD C 2
F7A F 0.1273(7) 0.7895(13) 0.3701(7) 0.0698(17) Uiso 0.51(2) 1 d PD C 2
F8A F 0.2000(13) 0.8845(14) 0.4455(4) 0.0698(17) Uiso 0.51(2) 1 d PD C 2
F9A F 0.2021(11) 0.9550(11) 0.3721(6) 0.0698(17) Uiso 0.51(2) 1 d PD C 2
C76 C 0.7230(4) 0.1853(7) 0.4089(2) 0.046(3) Uani 0.665(18) 1 d PD D 1
F10 F 0.7567(7) 0.0769(8) 0.4005(5) 0.0577(15) Uiso 0.665(18) 1 d PD D 1
F11 F 0.6459(5) 0.1992(12) 0.3699(4) 0.0577(15) Uiso 0.665(18) 1 d PD D 1
F12 F 0.7174(7) 0.1776(12) 0.4545(3) 0.0577(15) Uiso 0.665(18) 1 d PD D 1
C76A C 0.7230(4) 0.1853(7) 0.4089(2) 0.046(3) Uani 0.335(18) 1 d PD D 2
F10A F 0.6468(7) 0.234(2) 0.3868(9) 0.0577(15) Uiso 0.335(18) 1 d PD D 2
F11A F 0.7353(12) 0.138(2) 0.4574(4) 0.0577(15) Uiso 0.335(18) 1 d PD D 2
F12A F 0.7245(15) 0.0841(14) 0.3794(8) 0.0577(15) Uiso 0.335(18) 1 d PD D 2
O1 O 0.7876(4) 0.5451(6) 0.5809(3) 0.0295(14) Uani 1 1 d . . .
O2 O 0.2992(4) 0.5837(6) 0.5955(2) 0.0302(14) Uani 1 1 d . . .
O3 O 0.4098(4) 0.5112(6) 0.3439(2) 0.0250(12) Uani 1 1 d . . .
O4 O 0.9068(4) 0.5518(6) 0.3351(3) 0.0281(13) Uani 1 1 d . . .
O5 O 0.9118(7) 0.6579(7) 0.4797(4) 0.067(3) Uani 1 1 d . A .
O6 O 0.8265(7) 0.8257(15) 0.4702(8) 0.160(8) Uani 1 1 d U A .
O7 O 0.9340(10) 0.7978(12) 0.5525(4) 0.123(5) Uani 1 1 d U A .
O8 O 0.4496(5) 0.4591(7) 0.5066(3) 0.0432(18) Uani 1 1 d . B .
O9 O 0.3342(4) 0.3166(8) 0.4821(3) 0.0432(17) Uani 1 1 d . B .
O10 O 0.4294(5) 0.3356(7) 0.5745(3) 0.0427(17) Uani 1 1 d . B .
O11 O 0.2636(5) 0.6308(6) 0.4360(3) 0.0364(15) Uani 1 1 d . C .
O12 O 0.3560(5) 0.8126(9) 0.4641(3) 0.059(2) Uani 1 1 d . C .
O13 O 0.3040(4) 0.7403(6) 0.3737(3) 0.0383(15) Uani 1 1 d . C .
O14 O 0.7546(5) 0.4324(6) 0.4249(3) 0.0420(18) Uani 1 1 d . D .
O15 O 0.8690(4) 0.2846(8) 0.4547(3) 0.0460(18) Uani 1 1 d . D .
O16 O 0.7870(4) 0.3220(6) 0.3611(3) 0.0353(15) Uani 1 1 d . D .
N1 N 0.5477(5) 0.7240(8) 0.5335(3) 0.0326(18) Uani 1 1 d . . .
N2 N 0.0407(4) 0.4154(7) 0.5249(3) 0.0241(15) Uani 1 1 d . . .
N3 N 0.6514(5) 0.6965(7) 0.3917(3) 0.0289(16) Uani 1 1 d . . .
N4 N 1.1521(5) 0.3658(7) 0.3964(3) 0.0256(15) Uani 1 1 d . . .
C1 C 0.7299(6) 0.5634(9) 0.5264(4) 0.030(2) Uani 1 1 d . . .
H1A H 0.6984 0.4817 0.5119 0.036 Uiso 1 1 calc R . .
H1B H 0.7591 0.5878 0.5047 0.036 Uiso 1 1 calc R . .
C2 C 0.6724(5) 0.6731(9) 0.5261(4) 0.0252(18) Uani 1 1 d . . .
C3 C 0.6004(6) 0.6392(9) 0.5299(3) 0.0278(19) Uani 1 1 d . . .
H3A H 0.5883 0.5485 0.5300 0.033 Uiso 1 1 calc R . .
C4 C 0.5672(7) 0.8522(10) 0.5324(5) 0.041(3) Uani 1 1 d . . .
H4B H 0.5291 0.9160 0.5330 0.049 Uiso 1 1 calc R . .
C5 C 0.6371(7) 0.8957(11) 0.5305(4) 0.045(3) Uani 1 1 d . . .
H5A H 0.6492 0.9867 0.5320 0.054 Uiso 1 1 calc R . .
C6 C 0.6912(6) 0.8009(10) 0.5264(4) 0.037(2) Uani 1 1 d . . .
H6B H 0.7401 0.8269 0.5238 0.044 Uiso 1 1 calc R . .
C7 C 0.9335(5) 0.5162(9) 0.6592(3) 0.0259(18) Uani 1 1 d . . .
C8 C 0.9331(6) 0.6514(9) 0.6674(4) 0.035(2) Uani 1 1 d . . .
H8A H 0.8977 0.7086 0.6403 0.042 Uiso 1 1 calc R . .
C9 C 0.9880(7) 0.6992(12) 0.7179(4) 0.047(3) Uani 1 1 d . . .
H9A H 0.9871 0.7903 0.7248 0.057 Uiso 1 1 calc R . .
C10 C 1.0404(7) 0.6235(14) 0.7561(4) 0.054(3) Uani 1 1 d . . .
H10B H 1.0786 0.6611 0.7885 0.065 Uiso 1 1 calc R . .
C11 C 1.0391(9) 0.4933(16) 0.7486(5) 0.070(4) Uani 1 1 d . . .
H11A H 1.0737 0.4392 0.7772 0.084 Uiso 1 1 calc R . .
C12 C 0.9877(7) 0.4326(11) 0.6992(5) 0.047(3) Uani 1 1 d . . .
H12B H 0.9900 0.3410 0.6936 0.057 Uiso 1 1 calc R . .
C13 C 0.8387(5) 0.2908(8) 0.6075(3) 0.0246(18) Uani 1 1 d . . .
C14 C 0.8004(6) 0.2756(10) 0.6411(4) 0.035(2) Uani 1 1 d . . .
H14A H 0.7860 0.3501 0.6558 0.041 Uiso 1 1 calc R . .
C15 C 0.7834(7) 0.1486(10) 0.6529(4) 0.046(3) Uani 1 1 d . . .
H15B H 0.7583 0.1366 0.6764 0.055 Uiso 1 1 calc R . .
C16 C 0.8028(7) 0.0420(10) 0.6309(4) 0.043(3) Uani 1 1 d . . .
H16B H 0.7900 -0.0433 0.6389 0.051 Uiso 1 1 calc R . .
C17 C 0.8403(7) 0.0550(10) 0.5974(5) 0.047(3) Uani 1 1 d . . .
H17A H 0.8538 -0.0201 0.5826 0.056 Uiso 1 1 calc R . .
C18 C 0.8580(6) 0.1812(9) 0.5856(4) 0.034(2) Uani 1 1 d . . .
H18A H 0.8836 0.1921 0.5623 0.041 Uiso 1 1 calc R . .
C20 C 0.2329(6) 0.5960(12) 0.5443(4) 0.045(3) Uani 1 1 d . . .
H20A H 0.2541 0.5936 0.5170 0.055 Uiso 1 1 calc R . .
H20B H 0.2044 0.6809 0.5414 0.055 Uiso 1 1 calc R . .
C21 C 0.1745(5) 0.4863(10) 0.5360(3) 0.031(2) Uani 1 1 d . . .
C22 C 0.0957(5) 0.5133(10) 0.5325(3) 0.0273(18) Uani 1 1 d . . .
H22A H 0.0808 0.6013 0.5356 0.033 Uiso 1 1 calc R . .
C23 C 0.0610(5) 0.2951(9) 0.5195(3) 0.0284(19) Uani 1 1 d . . .
H23A H 0.0213 0.2276 0.5127 0.034 Uiso 1 1 calc R . .
C24 C 0.1380(6) 0.2619(10) 0.5231(4) 0.036(2) Uani 1 1 d . . .
H24A H 0.1512 0.1731 0.5197 0.044 Uiso 1 1 calc R . .
C25 C 0.1944(6) 0.3587(10) 0.5318(4) 0.033(2) Uani 1 1 d . . .
H25A H 0.2478 0.3375 0.5349 0.040 Uiso 1 1 calc R . .
C26 C 0.4478(5) 0.6233(9) 0.6735(3) 0.0275(18) Uani 1 1 d . . .
C27 C 0.5188(6) 0.6920(11) 0.6994(4) 0.037(2) Uani 1 1 d . . .
H27A H 0.5288 0.7693 0.6841 0.044 Uiso 1 1 calc R . .
C28 C 0.5779(6) 0.6471(12) 0.7497(4) 0.045(3) Uani 1 1 d . . .
H28A H 0.6278 0.6945 0.7675 0.054 Uiso 1 1 calc R . .
C29 C 0.5645(7) 0.5395(14) 0.7724(4) 0.054(3) Uani 1 1 d . . .
H29A H 0.6043 0.5128 0.8064 0.064 Uiso 1 1 calc R . .
C30 C 0.4948(7) 0.4686(10) 0.7475(4) 0.043(3) Uani 1 1 d . . .
H30A H 0.4865 0.3910 0.7634 0.052 Uiso 1 1 calc R . .
C31 C 0.4332(7) 0.5107(10) 0.6967(4) 0.042(2) Uani 1 1 d . . .
H31A H 0.3833 0.4628 0.6793 0.050 Uiso 1 1 calc R . .
C32 C 0.3472(5) 0.8364(9) 0.6158(4) 0.0262(18) Uani 1 1 d . . .
C33 C 0.3186(7) 0.8633(11) 0.6549(4) 0.042(2) Uani 1 1 d . . .
H33A H 0.3181 0.7953 0.6780 0.051 Uiso 1 1 calc R . .
C34 C 0.2915(8) 0.9873(13) 0.6597(4) 0.060(4) Uani 1 1 d . . .
H34A H 0.2710 1.0031 0.6853 0.072 Uiso 1 1 calc R . .
C35 C 0.2940(7) 1.0891(11) 0.6273(5) 0.047(3) Uani 1 1 d . . .
H35A H 0.2773 1.1751 0.6315 0.057 Uiso 1 1 calc R . .
C36 C 0.3214(7) 1.0628(12) 0.5886(5) 0.050(3) Uani 1 1 d . . .
H36A H 0.3212 1.1307 0.5652 0.060 Uiso 1 1 calc R . .
C37 C 0.3493(6) 0.9373(9) 0.5837(4) 0.034(2) Uani 1 1 d . . .
H37A H 0.3699 0.9219 0.5580 0.041 Uiso 1 1 calc R . .
C39 C 0.4692(5) 0.5319(9) 0.3979(4) 0.0283(19) Uani 1 1 d . . .
H39A H 0.5009 0.4506 0.4128 0.034 Uiso 1 1 calc R . .
H39B H 0.4412 0.5582 0.4202 0.034 Uiso 1 1 calc R . .
C40 C 0.5253(5) 0.6391(9) 0.3965(3) 0.0243(18) Uani 1 1 d . . .
C41 C 0.5987(5) 0.6052(8) 0.3939(3) 0.0217(16) Uani 1 1 d . . .
H41A H 0.6118 0.5150 0.3936 0.026 Uiso 1 1 calc R . .
C42 C 0.6326(6) 0.8215(9) 0.3928(4) 0.034(2) Uani 1 1 d . . .
H42A H 0.6694 0.8860 0.3908 0.040 Uiso 1 1 calc R . .
C43 C 0.5620(6) 0.8629(9) 0.3966(4) 0.034(2) Uani 1 1 d . . .
H43A H 0.5515 0.9535 0.3989 0.040 Uiso 1 1 calc R . .
C44 C 0.5073(6) 0.7681(10) 0.3971(4) 0.035(2) Uani 1 1 d . . .
H44A H 0.4569 0.7934 0.3978 0.042 Uiso 1 1 calc R . .
C45 C 0.3609(5) 0.2564(8) 0.3206(3) 0.0233(17) Uani 1 1 d . . .
C46 C 0.3258(6) 0.1490(9) 0.3323(4) 0.031(2) Uani 1 1 d . . .
H46A H 0.2889 0.1597 0.3483 0.037 Uiso 1 1 calc R . .
C47 C 0.3445(7) 0.0251(9) 0.3208(4) 0.038(2) Uani 1 1 d . . .
H47A H 0.3190 -0.0493 0.3280 0.046 Uiso 1 1 calc R . .
C48 C 0.3990(7) 0.0079(10) 0.2991(4) 0.041(2) Uani 1 1 d . . .
H48A H 0.4108 -0.0775 0.2906 0.049 Uiso 1 1 calc R . .
C49 C 0.4371(7) 0.1176(10) 0.2897(4) 0.042(2) Uani 1 1 d . . .
H49A H 0.4781 0.1063 0.2772 0.050 Uiso 1 1 calc R . .
C50 C 0.4164(6) 0.2395(10) 0.2983(4) 0.035(2) Uani 1 1 d . . .
H50A H 0.4396 0.3138 0.2892 0.042 Uiso 1 1 calc R . .
C51 C 0.2667(5) 0.4811(9) 0.2658(3) 0.0256(18) Uani 1 1 d . . .
C52 C 0.2633(6) 0.6126(10) 0.2563(4) 0.039(2) Uani 1 1 d . . .
H52A H 0.2967 0.6709 0.2837 0.046 Uiso 1 1 calc R . .
C53 C 0.2111(8) 0.6618(10) 0.2067(5) 0.047(3) Uani 1 1 d . . .
H53A H 0.2081 0.7537 0.2004 0.057 Uiso 1 1 calc R . .
C54 C 0.1631(8) 0.5760(12) 0.1664(4) 0.050(3) Uani 1 1 d . . .
H54A H 0.1286 0.6089 0.1321 0.060 Uiso 1 1 calc R . .
C55 C 0.1662(7) 0.4408(10) 0.1766(4) 0.044(3) Uani 1 1 d . . .
H55 H 0.1325 0.3807 0.1502 0.053 Uiso 1 1 calc R . .
C56 C 0.2179(6) 0.4000(10) 0.2246(3) 0.034(2) Uani 1 1 d . . .
H56A H 0.2216 0.3082 0.2311 0.041 Uiso 1 1 calc R . .
C58 C 0.9626(5) 0.5307(8) 0.3901(3) 0.0220(17) Uani 1 1 d . . .
H58A H 0.9315 0.5043 0.4105 0.026 Uiso 1 1 calc R . .
H58B H 0.9933 0.6123 0.4058 0.026 Uiso 1 1 calc R . .
C59 C 1.0201(5) 0.4257(8) 0.3918(3) 0.0235(18) Uani 1 1 d . . .
C60 C 1.0981(5) 0.4563(8) 0.3963(3) 0.0215(16) Uani 1 1 d . . .
H60A H 1.1140 0.5460 0.3995 0.026 Uiso 1 1 calc R . .
C61 C 1.1316(5) 0.2384(9) 0.3938(3) 0.0268(18) Uani 1 1 d . . .
H61A H 1.1703 0.1734 0.3952 0.032 Uiso 1 1 calc R . .
C62 C 1.0537(6) 0.1999(9) 0.3890(4) 0.033(2) Uani 1 1 d . . .
H62A H 1.0400 0.1094 0.3869 0.040 Uiso 1 1 calc R . .
C63 C 0.9979(6) 0.2919(9) 0.3873(4) 0.0305(19) Uani 1 1 d . . .
H63A H 0.9446 0.2664 0.3833 0.037 Uiso 1 1 calc R . .
C64 C 0.7622(5) 0.5639(8) 0.2558(3) 0.0202(16) Uani 1 1 d . . .
C65 C 0.6893(6) 0.6323(10) 0.2224(4) 0.035(2) Uani 1 1 d . . .
H65A H 0.6764 0.7151 0.2324 0.042 Uiso 1 1 calc R . .
C66 C 0.6381(6) 0.5747(13) 0.1751(4) 0.046(3) Uani 1 1 d . . .
H66A H 0.5887 0.6180 0.1523 0.056 Uiso 1 1 calc R . .
C67 C 0.6575(8) 0.4543(13) 0.1601(4) 0.053(3) Uani 1 1 d . . .
H67A H 0.6205 0.4134 0.1281 0.063 Uiso 1 1 calc R . .
C68 C 0.7287(8) 0.3965(12) 0.1911(5) 0.056(3) Uani 1 1 d . . .
H68A H 0.7435 0.3167 0.1797 0.067 Uiso 1 1 calc R . .
C69 C 0.7811(7) 0.4494(10) 0.2389(4) 0.041(2) Uani 1 1 d . . .
H69A H 0.8311 0.4055 0.2603 0.049 Uiso 1 1 calc R . .
C70 C 0.8510(5) 0.8013(8) 0.3045(3) 0.0239(17) Uani 1 1 d . . .
C71 C 0.8070(6) 0.9089(10) 0.3083(4) 0.038(2) Uani 1 1 d . . .
H71A H 0.7636 0.8976 0.3187 0.046 Uiso 1 1 calc R . .
C72 C 0.8263(7) 1.0333(12) 0.2968(5) 0.055(3) Uani 1 1 d . . .
H72A H 0.7970 1.1080 0.2999 0.066 Uiso 1 1 calc R . .
C73 C 0.8875(8) 1.0467(12) 0.2812(5) 0.057(3) Uani 1 1 d . . .
H73A H 0.8992 1.1314 0.2720 0.069 Uiso 1 1 calc R . .
C74 C 0.9327(7) 0.9428(10) 0.2783(4) 0.041(2) Uani 1 1 d . . .
H74A H 0.9769 0.9558 0.2687 0.049 Uiso 1 1 calc R . .
C75 C 0.9142(6) 0.8176(10) 0.2894(4) 0.036(2) Uani 1 1 d . . .
H75A H 0.9447 0.7440 0.2868 0.043 Uiso 1 1 calc R . .
C77 C 0.5170(9) 0.8960(16) 0.1885(6) 0.077(4) Uani 1 1 d . . .
H77A H 0.4669 0.9509 0.1777 0.092 Uiso 1 1 calc R . .
H77B H 0.4998 0.8076 0.1730 0.092 Uiso 1 1 calc R . .
C78 C 1.0655(15) 0.949(2) 0.6528(8) 0.127(11) Uiso 0.898(5) 1 d PD E 1
H78A H 1.0876 0.8733 0.6408 0.152 Uiso 0.898(5) 1 calc PR E 1
H78B H 1.0076 0.9294 0.6454 0.152 Uiso 0.898(5) 1 calc PR E 1
Cl3 Cl 1.1253(2) 0.9727(4) 0.72301(14) 0.0663(8) Uani 0.898(5) 1 d PD E 1
Cl4 Cl 1.0690(2) 1.0875(4) 0.61875(14) 0.0663(8) Uani 0.898(5) 1 d PD E 1
C78A C 1.079(14) 1.102(8) 0.708(3) 0.127(11) Uiso 0.102(5) 1 d PD E 2
H78C H 1.0398 1.1758 0.6958 0.152 Uiso 0.102(5) 1 calc PR E 2
H78D H 1.1329 1.1349 0.7111 0.152 Uiso 0.102(5) 1 calc PR E 2
Cl3A Cl 1.092(2) 1.059(3) 0.7741(10) 0.0663(8) Uani 0.102(5) 1 d PD E 2
Cl4A Cl 1.046(2) 0.980(4) 0.6611(11) 0.0663(8) Uani 0.102(5) 1 d PD E 2
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'
S S 0.1246 0.1234 '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'
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
N2 Ag1 P1 142.78(18) 1_655 . ?
N2 Ag1 O5 86.5(3) 1_655 . ?
P1 Ag1 O5 119.5(2) . . ?
N1 Ag2 P2 145.5(2) . . ?
N1 Ag2 O8 83.8(3) . . ?
P2 Ag2 O8 120.15(17) . . ?
N4 Ag3 P3 139.95(19) 1_455 . ?
N4 Ag3 O11 86.6(2) 1_455 . ?
P3 Ag3 O11 119.94(16) . . ?
N4 Ag3 O9 82.5(2) 1_455 . ?
P3 Ag3 O9 124.18(17) . . ?
O11 Ag3 O9 88.2(2) . . ?
N3 Ag4 P4 147.0(2) . . ?
N3 Ag4 O14 83.5(2) . . ?
P4 Ag4 O14 119.77(16) . . ?
O7 S1 O5 120.0(7) . . ?
O7 S1 O6 113.2(11) . . ?
O5 S1 O6 107.0(10) . . ?
O7 S1 C19 107.3(5) . . ?
O5 S1 C19 104.5(4) . . ?
O6 S1 C19 103.2(5) . . ?
O9 S2 O10 115.3(4) . . ?
O9 S2 O8 112.4(5) . . ?
O10 S2 O8 115.6(5) . . ?
O9 S2 C38 103.0(4) . . ?
O10 S2 C38 107.1(4) . . ?
O8 S2 C38 101.3(4) . . ?
O13 S3 O12 115.0(4) . . ?
O13 S3 O11 116.4(4) . . ?
O12 S3 O11 112.9(4) . . ?
O13 S3 C57 101.2(4) . . ?
O12 S3 C57 108.8(5) . . ?
O11 S3 C57 100.3(4) . . ?
O16 S4 O14 114.5(4) . . ?
O16 S4 O15 116.7(4) . . ?
O14 S4 O15 113.2(5) . . ?
O16 S4 C76 102.0(4) . . ?
O14 S4 C76 104.1(4) . . ?
O15 S4 C76 104.0(4) . . ?
O1 P1 C13 106.0(4) . . ?
O1 P1 C7 98.4(4) . . ?
C13 P1 C7 103.8(4) . . ?
O1 P1 Ag1 116.7(2) . . ?
C13 P1 Ag1 114.9(3) . . ?
C7 P1 Ag1 114.9(3) . . ?
O2 P2 C32 103.7(4) . . ?
O2 P2 C26 101.1(4) . . ?
C32 P2 C26 104.8(4) . . ?
O2 P2 Ag2 118.3(2) . . ?
C32 P2 Ag2 113.2(3) . . ?
C26 P2 Ag2 114.2(3) . . ?
O3 P3 C51 97.5(3) . . ?
O3 P3 C45 104.9(4) . . ?
C51 P3 C45 104.6(4) . . ?
O3 P3 Ag3 118.3(2) . . ?
C51 P3 Ag3 116.3(3) . . ?
C45 P3 Ag3 113.2(3) . . ?
O4 P4 C64 98.1(4) . . ?
O4 P4 C70 104.9(4) . . ?
C64 P4 C70 104.9(4) . . ?
O4 P4 Ag4 118.8(2) . . ?
C64 P4 Ag4 114.2(3) . . ?
C70 P4 Ag4 113.9(3) . . ?
F1 C19 F3 110.4(5) . . ?
F1 C19 F2 109.2(5) . . ?
F3 C19 F2 104.5(4) . . ?
F1 C19 S1 118.4(6) . . ?
F3 C19 S1 105.6(6) . . ?
F2 C19 S1 107.8(6) . . ?
F4 C38 F6 110.4(5) . . ?
F4 C38 F5 109.2(5) . . ?
F6 C38 F5 104.4(4) . . ?
F4 C38 S2 116.1(6) . . ?
F6 C38 S2 108.9(6) . . ?
F5 C38 S2 107.2(5) . . ?
F9 C57 F7 110.2(7) . . ?
F9 C57 F8 107.5(6) . . ?
F7 C57 F8 107.5(6) . . ?
F9 C57 S3 105.3(9) . . ?
F7 C57 S3 107.4(9) . . ?
F8 C57 S3 118.8(10) . . ?
F12 C76 F10 110.5(6) . . ?
F12 C76 F11 107.8(6) . . ?
F10 C76 F11 109.4(6) . . ?
F12 C76 S4 108.7(6) . . ?
F10 C76 S4 107.1(6) . . ?
F11 C76 S4 113.4(6) . . ?
C1 O1 P1 118.6(5) . . ?
C20 O2 P2 116.3(5) . . ?
C39 O3 P3 119.8(5) . . ?
C58 O4 P4 119.9(5) . . ?
S1 O5 Ag1 120.7(5) . . ?
S2 O8 Ag2 117.3(4) . . ?
S2 O9 Ag3 122.8(4) . . ?
S3 O11 Ag3 117.7(4) . . ?
S4 O14 Ag4 114.3(4) . . ?
C3 N1 C4 115.4(8) . . ?
C3 N1 Ag2 124.2(7) . . ?
C4 N1 Ag2 120.1(6) . . ?
C23 N2 C22 119.2(8) . . ?
C23 N2 Ag1 120.3(6) . 1_455 ?
C22 N2 Ag1 120.0(6) . 1_455 ?
C42 N3 C41 118.3(8) . . ?
C42 N3 Ag4 120.2(6) . . ?
C41 N3 Ag4 121.3(6) . . ?
C60 N4 C61 118.9(7) . . ?
C60 N4 Ag3 121.6(6) . 1_655 ?
C61 N4 Ag3 119.1(5) . 1_655 ?
O1 C1 C2 106.4(7) . . ?
O1 C1 H1A 110.5 . . ?
C2 C1 H1A 110.5 . . ?
O1 C1 H1B 110.5 . . ?
C2 C1 H1B 110.5 . . ?
H1A C1 H1B 108.6 . . ?
C6 C2 C3 118.7(8) . . ?
C6 C2 C1 123.0(8) . . ?
C3 C2 C1 118.0(8) . . ?
N1 C3 C2 124.5(9) . . ?
N1 C3 H3A 117.7 . . ?
C2 C3 H3A 117.7 . . ?
C5 C4 N1 124.7(9) . . ?
C5 C4 H4B 117.7 . . ?
N1 C4 H4B 117.7 . . ?
C4 C5 C6 117.5(10) . . ?
C4 C5 H5A 121.2 . . ?
C6 C5 H5A 121.2 . . ?
C2 C6 C5 119.0(9) . . ?
C2 C6 H6B 120.5 . . ?
C5 C6 H6B 120.5 . . ?
C8 C7 C12 121.2(9) . . ?
C8 C7 P1 118.2(7) . . ?
C12 C7 P1 120.5(8) . . ?
C7 C8 C9 116.8(9) . . ?
C7 C8 H8A 121.6 . . ?
C9 C8 H8A 121.6 . . ?
C10 C9 C8 123.5(11) . . ?
C10 C9 H9A 118.2 . . ?
C8 C9 H9A 118.2 . . ?
C9 C10 C11 119.4(11) . . ?
C9 C10 H10B 120.3 . . ?
C11 C10 H10B 120.3 . . ?
C10 C11 C12 122.7(13) . . ?
C10 C11 H11A 118.7 . . ?
C12 C11 H11A 118.7 . . ?
C7 C12 C11 116.3(11) . . ?
C7 C12 H12B 121.9 . . ?
C11 C12 H12B 121.9 . . ?
C18 C13 C14 119.9(8) . . ?
C18 C13 P1 119.4(7) . . ?
C14 C13 P1 120.7(7) . . ?
C13 C14 C15 118.9(10) . . ?
C13 C14 H14A 120.6 . . ?
C15 C14 H14A 120.6 . . ?
C16 C15 C14 120.3(10) . . ?
C16 C15 H15B 119.8 . . ?
C14 C15 H15B 119.8 . . ?
C15 C16 C17 121.6(10) . . ?
C15 C16 H16B 119.2 . . ?
C17 C16 H16B 119.2 . . ?
C16 C17 C18 118.5(9) . . ?
C16 C17 H17A 120.7 . . ?
C18 C17 H17A 120.7 . . ?
C13 C18 C17 120.7(9) . . ?
C13 C18 H18A 119.7 . . ?
C17 C18 H18A 119.7 . . ?
O2 C20 C21 108.9(8) . . ?
O2 C20 H20A 109.9 . . ?
C21 C20 H20A 109.9 . . ?
O2 C20 H20B 109.9 . . ?
C21 C20 H20B 109.9 . . ?
H20A C20 H20B 108.3 . . ?
C25 C21 C22 118.2(8) . . ?
C25 C21 C20 122.6(9) . . ?
C22 C21 C20 119.2(10) . . ?
N2 C22 C21 120.8(9) . . ?
N2 C22 H22A 119.6 . . ?
C21 C22 H22A 119.6 . . ?
N2 C23 C24 122.8(9) . . ?
N2 C23 H23A 118.6 . . ?
C24 C23 H23A 118.6 . . ?
C25 C24 C23 118.7(9) . . ?
C25 C24 H24A 120.6 . . ?
C23 C24 H24A 120.6 . . ?
C24 C25 C21 120.3(8) . . ?
C24 C25 H25A 119.9 . . ?
C21 C25 H25A 119.9 . . ?
C27 C26 C31 119.8(9) . . ?
C27 C26 P2 117.4(7) . . ?
C31 C26 P2 122.6(7) . . ?
C26 C27 C28 119.4(10) . . ?
C26 C27 H27A 120.3 . . ?
C28 C27 H27A 120.3 . . ?
C29 C28 C27 121.4(10) . . ?
C29 C28 H28A 119.3 . . ?
C27 C28 H28A 119.3 . . ?
C28 C29 C30 120.5(10) . . ?
C28 C29 H29A 119.7 . . ?
C30 C29 H29A 119.7 . . ?
C29 C30 C31 120.0(10) . . ?
C29 C30 H30A 120.0 . . ?
C31 C30 H30A 120.0 . . ?
C26 C31 C30 118.9(10) . . ?
C26 C31 H31A 120.6 . . ?
C30 C31 H31A 120.6 . . ?
C37 C32 C33 118.6(8) . . ?
C37 C32 P2 119.8(7) . . ?
C33 C32 P2 121.6(7) . . ?
C34 C33 C32 120.7(10) . . ?
C34 C33 H33A 119.6 . . ?
C32 C33 H33A 119.6 . . ?
C33 C34 C35 120.6(10) . . ?
C33 C34 H34A 119.7 . . ?
C35 C34 H34A 119.7 . . ?
C34 C35 C36 118.8(10) . . ?
C34 C35 H35A 120.6 . . ?
C36 C35 H35A 120.6 . . ?
C35 C36 C37 120.8(11) . . ?
C35 C36 H36A 119.6 . . ?
C37 C36 H36A 119.6 . . ?
C32 C37 C36 120.5(9) . . ?
C32 C37 H37A 119.8 . . ?
C36 C37 H37A 119.8 . . ?
O3 C39 C40 106.4(7) . . ?
O3 C39 H39A 110.4 . . ?
C40 C39 H39A 110.4 . . ?
O3 C39 H39B 110.4 . . ?
C40 C39 H39B 110.4 . . ?
H39A C39 H39B 108.6 . . ?
C44 C40 C41 118.5(8) . . ?
C44 C40 C39 122.7(8) . . ?
C41 C40 C39 118.9(8) . . ?
N3 C41 C40 122.0(8) . . ?
N3 C41 H41A 119.0 . . ?
C40 C41 H41A 119.0 . . ?
N3 C42 C43 123.2(8) . . ?
N3 C42 H42A 118.4 . . ?
C43 C42 H42A 118.4 . . ?
C44 C43 C42 117.8(9) . . ?
C44 C43 H43A 121.1 . . ?
C42 C43 H43A 121.1 . . ?
C40 C44 C43 120.2(9) . . ?
C40 C44 H44A 119.9 . . ?
C43 C44 H44A 119.9 . . ?
C46 C45 C50 119.9(8) . . ?
C46 C45 P3 119.1(7) . . ?
C50 C45 P3 121.0(7) . . ?
C45 C46 C47 119.4(9) . . ?
C45 C46 H46A 120.3 . . ?
C47 C46 H46A 120.3 . . ?
C48 C47 C46 120.9(8) . . ?
C48 C47 H47A 119.5 . . ?
C46 C47 H47A 119.5 . . ?
C47 C48 C49 119.0(9) . . ?
C47 C48 H48A 120.5 . . ?
C49 C48 H48A 120.5 . . ?
C50 C49 C48 120.8(9) . . ?
C50 C49 H49A 119.6 . . ?
C48 C49 H49A 119.6 . . ?
C49 C50 C45 119.8(9) . . ?
C49 C50 H50A 120.1 . . ?
C45 C50 H50A 120.1 . . ?
C52 C51 C56 117.8(8) . . ?
C52 C51 P3 119.6(7) . . ?
C56 C51 P3 122.5(7) . . ?
C51 C52 C53 120.2(9) . . ?
C51 C52 H52A 119.9 . . ?
C53 C52 H52A 119.9 . . ?
C52 C53 C54 119.8(10) . . ?
C52 C53 H53A 120.1 . . ?
C54 C53 H53A 120.1 . . ?
C53 C54 C55 119.7(10) . . ?
C53 C54 H54A 120.2 . . ?
C55 C54 H54A 120.2 . . ?
C56 C55 C54 117.5(10) . . ?
C56 C55 H55 121.2 . . ?
C54 C55 H55 121.2 . . ?
C55 C56 C51 124.9(10) . . ?
C55 C56 H56A 117.5 . . ?
C51 C56 H56A 117.5 . . ?
O4 C58 C59 107.3(6) . . ?
O4 C58 H58A 110.3 . . ?
C59 C58 H58A 110.3 . . ?
O4 C58 H58B 110.3 . . ?
C59 C58 H58B 110.3 . . ?
H58A C58 H58B 108.5 . . ?
C60 C59 C63 117.5(8) . . ?
C60 C59 C58 120.4(8) . . ?
C63 C59 C58 122.0(8) . . ?
N4 C60 C59 123.2(8) . . ?
N4 C60 H60A 118.4 . . ?
C59 C60 H60A 118.4 . . ?
N4 C61 C62 121.0(8) . . ?
N4 C61 H61A 119.5 . . ?
C62 C61 H61A 119.5 . . ?
C63 C62 C61 120.1(8) . . ?
C63 C62 H62A 119.9 . . ?
C61 C62 H62A 119.9 . . ?
C62 C63 C59 119.1(8) . . ?
C62 C63 H63A 120.5 . . ?
C59 C63 H63A 120.5 . . ?
C69 C64 C65 119.4(8) . . ?
C69 C64 P4 124.0(7) . . ?
C65 C64 P4 116.6(6) . . ?
C66 C65 C64 118.0(9) . . ?
C66 C65 H65A 121.0 . . ?
C64 C65 H65A 121.0 . . ?
C65 C66 C67 121.0(10) . . ?
C65 C66 H66A 119.5 . . ?
C67 C66 H66A 119.5 . . ?
C68 C67 C66 119.3(10) . . ?
C68 C67 H67A 120.3 . . ?
C66 C67 H67A 120.3 . . ?
C67 C68 C69 121.6(11) . . ?
C67 C68 H68A 119.2 . . ?
C69 C68 H68A 119.2 . . ?
C64 C69 C68 120.5(11) . . ?
C64 C69 H69A 119.8 . . ?
C68 C69 H69A 119.8 . . ?
C75 C70 C71 120.1(8) . . ?
C75 C70 P4 120.8(7) . . ?
C71 C70 P4 119.2(7) . . ?
C70 C71 C72 119.9(10) . . ?
C70 C71 H71A 120.0 . . ?
C72 C71 H71A 120.0 . . ?
C73 C72 C71 118.9(12) . . ?
C73 C72 H72A 120.5 . . ?
C71 C72 H72A 120.5 . . ?
C72 C73 C74 122.1(11) . . ?
C72 C73 H73A 119.0 . . ?
C74 C73 H73A 119.0 . . ?
C73 C74 C75 119.8(10) . . ?
C73 C74 H74A 120.1 . . ?
C75 C74 H74A 120.1 . . ?
C70 C75 C74 119.2(10) . . ?
C70 C75 H75A 120.4 . . ?
C74 C75 H75A 120.4 . . ?
Cl1 C77 Cl2 111.4(8) . . ?
Cl1 C77 H77A 109.3 . . ?
Cl2 C77 H77A 109.3 . . ?
Cl1 C77 H77B 109.3 . . ?
Cl2 C77 H77B 109.3 . . ?
H77A C77 H77B 108.0 . . ?
Cl4 C78 Cl3 110.2(13) . . ?
Cl4 C78 H78A 109.6 . . ?
Cl3 C78 H78A 109.6 . . ?
Cl4 C78 H78B 109.6 . . ?
Cl3 C78 H78B 109.6 . . ?
H78A C78 H78B 108.1 . . ?
Cl4A C78A Cl3A 117(3) . . ?
Cl4A C78A H78C 108.1 . . ?
Cl3A C78A H78C 108.1 . . ?
Cl4A C78A H78D 108.1 . . ?
Cl3A C78A H78D 108.1 . . ?
H78C C78A H78D 107.3 . . ?
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 N2 2.231(7) 1_655 ?
Ag1 P1 2.334(2) . ?
Ag1 O5 2.500(8) . ?
Ag2 N1 2.217(8) . ?
Ag2 P2 2.343(2) . ?
Ag2 O8 2.470(7) . ?
Ag3 N4 2.259(7) 1_455 ?
Ag3 P3 2.356(2) . ?
Ag3 O11 2.486(7) . ?
Ag3 O9 2.517(7) . ?
Ag4 N3 2.241(7) . ?
Ag4 P4 2.357(2) . ?
Ag4 O14 2.513(7) . ?
Cl1 C77 1.729(15) . ?
Cl2 C77 1.794(14) . ?
S1 O7 1.356(9) . ?
S1 O5 1.384(7) . ?
S1 O6 1.397(11) . ?
S1 C19 1.812(8) . ?
S2 O9 1.424(7) . ?
S2 O10 1.434(7) . ?
S2 O8 1.437(7) . ?
S2 C38 1.835(7) . ?
S3 O13 1.420(6) . ?
S3 O12 1.428(7) . ?
S3 O11 1.433(7) . ?
S3 C57 1.824(9) . ?
S4 O16 1.404(7) . ?
S4 O14 1.429(7) . ?
S4 O15 1.435(7) . ?
S4 C76 1.825(8) . ?
P1 O1 1.625(6) . ?
P1 C13 1.806(9) . ?
P1 C7 1.821(9) . ?
P2 O2 1.636(6) . ?
P2 C32 1.791(9) . ?
P2 C26 1.798(9) . ?
P3 O3 1.618(6) . ?
P3 C51 1.806(8) . ?
P3 C45 1.820(8) . ?
P4 O4 1.610(6) . ?
P4 C64 1.821(8) . ?
P4 C70 1.831(9) . ?
C19 F1 1.303(5) . ?
C19 F3 1.335(5) . ?
C19 F2 1.378(6) . ?
C38 F4 1.302(5) . ?
C38 F6 1.335(5) . ?
C38 F5 1.379(6) . ?
C57 F9 1.325(5) . ?
C57 F7 1.328(5) . ?
C57 F8 1.360(7) . ?
C76 F12 1.322(5) . ?
C76 F10 1.327(5) . ?
C76 F11 1.352(7) . ?
O1 C1 1.439(11) . ?
O2 C20 1.419(12) . ?
O3 C39 1.443(10) . ?
O4 C58 1.446(10) . ?
N1 C3 1.317(11) . ?
N1 C4 1.356(13) . ?
N2 C23 1.306(12) . ?
N2 C22 1.356(11) . ?
N2 Ag1 2.231(7) 1_455 ?
N3 C42 1.321(12) . ?
N3 C41 1.348(11) . ?
N4 C60 1.338(11) . ?
N4 C61 1.343(11) . ?
N4 Ag3 2.259(7) 1_655 ?
C1 C2 1.519(12) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 C6 1.344(14) . ?
C2 C3 1.387(12) . ?
C3 H3A 0.9500 . ?
C4 C5 1.353(15) . ?
C4 H4B 0.9500 . ?
C5 C6 1.410(14) . ?
C5 H5A 0.9500 . ?
C6 H6B 0.9500 . ?
C7 C8 1.397(13) . ?
C7 C12 1.409(14) . ?
C8 C9 1.417(13) . ?
C8 H8A 0.9500 . ?
C9 C10 1.325(17) . ?
C9 H9A 0.9500 . ?
C10 C11 1.34(2) . ?
C10 H10B 0.9500 . ?
C11 C12 1.430(17) . ?
C11 H11A 0.9500 . ?
C12 H12B 0.9500 . ?
C13 C18 1.387(13) . ?
C13 C14 1.391(12) . ?
C14 C15 1.402(14) . ?
C14 H14A 0.9500 . ?
C15 C16 1.364(15) . ?
C15 H15B 0.9500 . ?
C16 C17 1.375(15) . ?
C16 H16B 0.9500 . ?
C17 C18 1.399(15) . ?
C17 H17A 0.9500 . ?
C18 H18A 0.9500 . ?
C20 C21 1.481(13) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C25 1.367(14) . ?
C21 C22 1.405(12) . ?
C22 H22A 0.9500 . ?
C23 C24 1.385(12) . ?
C23 H23A 0.9500 . ?
C24 C25 1.359(15) . ?
C24 H24A 0.9500 . ?
C25 H25A 0.9500 . ?
C26 C27 1.360(13) . ?
C26 C31 1.397(13) . ?
C27 C28 1.424(13) . ?
C27 H27A 0.9500 . ?
C28 C29 1.340(18) . ?
C28 H28A 0.9500 . ?
C29 C30 1.351(17) . ?
C29 H29A 0.9500 . ?
C30 C31 1.439(14) . ?
C30 H30A 0.9500 . ?
C31 H31A 0.9500 . ?
C32 C37 1.376(13) . ?
C32 C33 1.419(13) . ?
C33 C34 1.382(15) . ?
C33 H33A 0.9500 . ?
C34 C35 1.388(18) . ?
C34 H34A 0.9500 . ?
C35 C36 1.396(16) . ?
C35 H35A 0.9500 . ?
C36 C37 1.401(15) . ?
C36 H36A 0.9500 . ?
C37 H37A 0.9500 . ?
C39 C40 1.498(12) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 C44 1.355(13) . ?
C40 C41 1.395(12) . ?
C41 H41A 0.9500 . ?
C42 C43 1.386(13) . ?
C42 H42A 0.9500 . ?
C43 C44 1.383(14) . ?
C43 H43A 0.9500 . ?
C44 H44A 0.9500 . ?
C45 C46 1.371(12) . ?
C45 C50 1.396(11) . ?
C46 C47 1.379(14) . ?
C46 H46A 0.9500 . ?
C47 C48 1.366(14) . ?
C47 H47A 0.9500 . ?
C48 C49 1.393(15) . ?
C48 H48A 0.9500 . ?
C49 C50 1.347(14) . ?
C49 H49A 0.9500 . ?
C50 H50A 0.9500 . ?
C51 C52 1.363(13) . ?
C51 C56 1.382(13) . ?
C52 C53 1.391(15) . ?
C52 H52A 0.9500 . ?
C53 C54 1.394(16) . ?
C53 H53A 0.9500 . ?
C54 C55 1.403(15) . ?
C54 H54A 0.9500 . ?
C55 C56 1.328(13) . ?
C55 H55 0.9500 . ?
C56 H56A 0.9500 . ?
C58 C59 1.475(11) . ?
C58 H58A 0.9900 . ?
C58 H58B 0.9900 . ?
C59 C60 1.388(12) . ?
C59 C63 1.411(12) . ?
C60 H60A 0.9500 . ?
C61 C62 1.403(12) . ?
C61 H61A 0.9500 . ?
C62 C63 1.359(13) . ?
C62 H62A 0.9500 . ?
C63 H63A 0.9500 . ?
C64 C69 1.356(13) . ?
C64 C65 1.422(12) . ?
C65 C66 1.376(14) . ?
C65 H65A 0.9500 . ?
C66 C67 1.389(17) . ?
C66 H66A 0.9500 . ?
C67 C68 1.335(18) . ?
C67 H67A 0.9500 . ?
C68 C69 1.371(15) . ?
C68 H68A 0.9500 . ?
C69 H69A 0.9500 . ?
C70 C75 1.380(12) . ?
C70 C71 1.383(13) . ?
C71 C72 1.388(15) . ?
C71 H71A 0.9500 . ?
C72 C73 1.354(17) . ?
C72 H72A 0.9500 . ?
C73 C74 1.358(17) . ?
C73 H73A 0.9500 . ?
C74 C75 1.387(14) . ?
C74 H74A 0.9500 . ?
C75 H75A 0.9500 . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 Cl4 1.72(2) . ?
C78 Cl3 1.80(2) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C78A Cl4A 1.73(3) . ?
C78A Cl3A 1.80(3) . ?
C78A H78C 0.9900 . ?
C78A H78D 0.9900 . ?
