#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:23:46 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179058 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/20/4302023.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_4302023
loop_
_publ_author_name
'Chelladurai Ganesamoorthy'
'Maravanji S. Balakrishna'
'Joel T. Mague'
_publ_section_title
;
Group 11 Metal Chemistry of a Tetradentate Ligand,
Phenylene-1,4-diaminotetra(phosphonite), p-C6H4[N{P(OC6H4OMe-o)2}2]2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3768
_journal_page_last               3782
_journal_paper_doi               10.1021/ic900085e
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety
' C78 H92 Ag4 Cl4 N2 O36 P4, 2(C7 H8 O2), 2(C4 H8 O), C4 H8 O'
_chemical_formula_sum            'C104 H132 Ag4 Cl4 N2 O43 P4'
_chemical_formula_weight         2795.28
_chemical_name_systematic
; 
μ-{1,4-Bis[bis(bis(o-methoxyphenoxy)phosphino)amino]
benzene-1\kP;2\kP';3\kP";4\kP'"}-μ-bis(perchlorato-
1\kO;2\kO;3\kO;4\kO)-μ-bis(perchlorato-1\kO;2\kO';
3\kO;4\kO')tetrakis(tetrahydrofuran)tetrakis(silver(I))
Tetrahydrofuran Solvate o-Methoxyphenol Solvate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                109.135(2)
_cell_angle_beta                 110.464(2)
_cell_angle_gamma                90.280(2)
_cell_formula_units_Z            1
_cell_length_a                   13.743(2)
_cell_length_b                   15.530(2)
_cell_length_c                   16.198(2)
_cell_measurement_reflns_used    8563
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.400
_cell_measurement_theta_min      2.262
_cell_volume                     3032.0(7)
_computing_cell_refinement       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_collection       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2004)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_publication_material  'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker-AXS Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and 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  0.0835
_diffrn_reflns_av_sigmaI/netI    0.1116
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            81438
_diffrn_reflns_theta_full        26.62
_diffrn_reflns_theta_max         26.62
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    0.861
_exptl_absorpt_correction_T_max  0.9288
_exptl_absorpt_correction_T_min  0.7290
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS (Sheldrick, 2005a)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             1430
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.845
_refine_diff_density_min         -1.087
_refine_diff_density_rms         0.209
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.927
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     762
_refine_ls_number_reflns         23267
_refine_ls_number_restraints     33
_refine_ls_restrained_S_all      0.931
_refine_ls_R_factor_all          0.1137
_refine_ls_R_factor_gt           0.0579
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0819P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1510
_refine_ls_wR_factor_ref         0.1686
_reflns_number_gt                12525
_reflns_number_total             23267
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic900085e_si_001_05.cif
_cod_data_source_block           msb314
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_cell_volume        3031.8(7)
_cod_database_code               4302023
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.70489(3) 0.26402(2) 0.10216(2) 0.02488(10) Uani 1 1 d . . .
Ag2 Ag 0.92548(3) 0.23965(2) 0.09580(2) 0.02287(10) Uani 1 1 d . A .
Cl1 Cl 0.77234(10) 0.03976(8) 0.04253(9) 0.0335(3) Uani 1 1 d . . .
Cl2 Cl 0.76577(9) 0.33501(9) -0.05376(9) 0.0325(3) Uani 1 1 d . . .
P1 P 0.78596(9) 0.37801(8) 0.25042(8) 0.0193(3) Uani 1 1 d . A .
P2 P 0.98773(9) 0.31489(8) 0.25933(8) 0.0180(2) Uani 1 1 d . . .
O1 O 0.7831(2) 0.48581(19) 0.2649(2) 0.0244(7) Uani 1 1 d . . .
O2 O 0.7288(3) 0.5606(2) 0.4128(2) 0.0333(8) Uani 1 1 d . A .
O3 O 0.7309(2) 0.3699(2) 0.3215(2) 0.0222(7) Uani 1 1 d . . .
O4 O 0.7905(2) 0.2096(2) 0.3228(2) 0.0252(7) Uani 1 1 d . A .
O5 O 1.0981(2) 0.38045(19) 0.3035(2) 0.0206(7) Uani 1 1 d . A .
O6 O 1.0008(2) 0.4894(2) 0.2105(2) 0.0262(7) Uani 1 1 d . . .
O7 O 1.0170(2) 0.2526(2) 0.3245(2) 0.0203(7) Uani 1 1 d . A .
O8 O 1.1127(3) 0.1700(2) 0.2057(2) 0.0302(8) Uani 1 1 d . . .
O9 O 0.7230(3) 0.1060(2) 0.0942(3) 0.0497(11) Uani 1 1 d . A .
O10 O 0.8384(4) 0.0846(3) 0.0139(3) 0.0716(16) Uani 1 1 d . A .
O11 O 0.8321(4) -0.0078(4) 0.1004(4) 0.0764(15) Uani 1 1 d . A .
O12 O 0.6952(3) -0.0240(3) -0.0387(3) 0.0653(14) Uani 1 1 d . A .
O13 O 0.7551(3) 0.2510(3) -0.0332(2) 0.0396(9) Uani 1 1 d . A .
O14 O 0.7050(3) 0.3998(3) -0.0174(3) 0.0623(13) Uani 1 1 d . A .
O15 O 0.8733(3) 0.3740(2) -0.0094(3) 0.0447(10) Uani 1 1 d . A .
O16 O 0.7319(3) 0.3119(3) -0.1531(2) 0.0429(10) Uani 1 1 d . A .
O17 O 0.9902(2) 0.1945(2) -0.0217(2) 0.0296(8) Uani 1 1 d . . .
N1 N 0.9134(3) 0.3821(2) 0.3092(2) 0.0168(8) Uani 1 1 d . A .
C1 C 0.6865(3) 0.5200(3) 0.2507(3) 0.0228(10) Uani 1 1 d . A .
C2 C 0.6239(4) 0.5161(3) 0.1624(4) 0.0281(11) Uani 1 1 d . . .
H2 H 0.6447 0.4896 0.1104 0.034 Uiso 1 1 calc R A .
C3 C 0.5288(4) 0.5516(3) 0.1503(4) 0.0336(12) Uani 1 1 d . A .
H3 H 0.4842 0.5493 0.0894 0.040 Uiso 1 1 calc R . .
C4 C 0.4994(4) 0.5900(3) 0.2258(4) 0.0348(13) Uani 1 1 d . . .
H4 H 0.4347 0.6141 0.2168 0.042 Uiso 1 1 calc R A .
C5 C 0.5634(4) 0.5938(3) 0.3148(4) 0.0322(12) Uani 1 1 d . A .
H5 H 0.5425 0.6205 0.3667 0.039 Uiso 1 1 calc R . .
C6 C 0.6587(4) 0.5583(3) 0.3286(3) 0.0273(11) Uani 1 1 d . . .
C7 C 0.6904(4) 0.5663(4) 0.4853(4) 0.0425(14) Uani 1 1 d . . .
H7A H 0.6680 0.6268 0.5064 0.064 Uiso 1 1 calc R A .
H7B H 0.7461 0.5577 0.5385 0.064 Uiso 1 1 calc R . .
H7C H 0.6307 0.5183 0.4610 0.064 Uiso 1 1 calc R . .
C8 C 0.6547(3) 0.2952(3) 0.2920(3) 0.0247(11) Uani 1 1 d . A .
C9 C 0.5511(4) 0.3076(4) 0.2660(5) 0.0476(16) Uani 1 1 d . . .
H9 H 0.5313 0.3659 0.2649 0.057 Uiso 1 1 calc R A .
C10 C 0.4753(4) 0.2349(4) 0.2413(6) 0.070(2) Uani 1 1 d . A .
H10 H 0.4034 0.2433 0.2242 0.084 Uiso 1 1 calc R . .
C11 C 0.5049(4) 0.1500(4) 0.2418(5) 0.0568(19) Uani 1 1 d . . .
H11 H 0.4530 0.0997 0.2236 0.068 Uiso 1 1 calc R A .
C12 C 0.6097(4) 0.1378(3) 0.2685(4) 0.0335(12) Uani 1 1 d . A .
H12 H 0.6296 0.0794 0.2689 0.040 Uiso 1 1 calc R . .
C13 C 0.6859(4) 0.2116(3) 0.2949(3) 0.0242(10) Uani 1 1 d . . .
C14 C 0.8277(4) 0.1249(3) 0.3311(4) 0.0340(12) Uani 1 1 d . . .
H14A H 0.8026 0.1076 0.3739 0.051 Uiso 1 1 calc R A .
H14B H 0.9045 0.1335 0.3560 0.051 Uiso 1 1 calc R . .
H14C H 0.8012 0.0761 0.2690 0.051 Uiso 1 1 calc R . .
C15 C 1.1418(3) 0.4070(3) 0.2481(3) 0.0226(10) Uani 1 1 d . . .
C16 C 1.2353(4) 0.3794(3) 0.2456(4) 0.0287(11) Uani 1 1 d . A .
H16 H 1.2673 0.3393 0.2775 0.034 Uiso 1 1 calc R . .
C17 C 1.2833(4) 0.4105(3) 0.1960(4) 0.0357(13) Uani 1 1 d . . .
H17 H 1.3484 0.3917 0.1942 0.043 Uiso 1 1 calc R A .
C18 C 1.2369(4) 0.4682(3) 0.1496(4) 0.0353(13) Uani 1 1 d . A .
H18 H 1.2699 0.4888 0.1155 0.042 Uiso 1 1 calc R . .
C19 C 1.1424(4) 0.4965(3) 0.1524(4) 0.0301(12) Uani 1 1 d . . .
H19 H 1.1111 0.5368 0.1205 0.036 Uiso 1 1 calc R A .
C20 C 1.0931(3) 0.4663(3) 0.2015(3) 0.0228(10) Uani 1 1 d . A .
C21 C 0.9544(4) 0.5569(3) 0.1724(4) 0.0346(13) Uani 1 1 d . . .
H21A H 1.0045 0.6133 0.2006 0.052 Uiso 1 1 calc R . .
H21B H 0.8911 0.5704 0.1863 0.052 Uiso 1 1 calc R . .
H21C H 0.9359 0.5333 0.1040 0.052 Uiso 1 1 calc R . .
C22 C 1.1140(3) 0.2231(3) 0.3588(3) 0.0201(10) Uani 1 1 d . . .
C23 C 1.1556(4) 0.2339(3) 0.4524(3) 0.0261(11) Uani 1 1 d . A .
H23 H 1.1198 0.2628 0.4926 0.031 Uiso 1 1 calc R . .
C24 C 1.2497(4) 0.2028(3) 0.4880(4) 0.0331(12) Uani 1 1 d . . .
H24 H 1.2787 0.2095 0.5526 0.040 Uiso 1 1 calc R A .
C25 C 1.3010(4) 0.1620(4) 0.4291(4) 0.0376(13) Uani 1 1 d . A .
H25 H 1.3664 0.1417 0.4541 0.045 Uiso 1 1 calc R . .
C26 C 1.2600(4) 0.1495(3) 0.3338(4) 0.0330(12) Uani 1 1 d . . .
H26 H 1.2968 0.1216 0.2942 0.040 Uiso 1 1 calc R A .
C27 C 1.1636(4) 0.1791(3) 0.2975(3) 0.0247(11) Uani 1 1 d . A .
C28 C 1.1577(4) 0.1186(4) 0.1404(4) 0.0390(13) Uani 1 1 d . . .
H28A H 1.2256 0.1518 0.1541 0.059 Uiso 1 1 calc R . .
H28B H 1.1107 0.1109 0.0762 0.059 Uiso 1 1 calc R . .
H28C H 1.1676 0.0581 0.1461 0.059 Uiso 1 1 calc R . .
C29 C 0.9583(3) 0.4097(3) 0.4773(3) 0.0210(10) Uani 1 1 d . . .
H29 H 0.9297 0.3481 0.4614 0.025 Uiso 1 1 calc R . .
C30 C 0.9588(3) 0.4425(3) 0.4076(3) 0.0179(9) Uani 1 1 d . . .
C31 C 0.9998(3) 0.5318(3) 0.4293(3) 0.0199(10) Uani 1 1 d . . .
H31 H 0.9995 0.5533 0.3806 0.024 Uiso 1 1 calc R . .
C32 C 1.0731(5) 0.2516(4) -0.0228(5) 0.0550(18) Uani 1 1 d . A .
H32A H 1.1420 0.2451 0.0205 0.066 Uiso 1 1 calc R . .
H32B H 1.0622 0.3170 -0.0022 0.066 Uiso 1 1 calc R . .
C33 C 1.0704(5) 0.2209(6) -0.1204(5) 0.072(2) Uani 1 1 d . . .
H33A H 1.1149 0.1718 -0.1316 0.087 Uiso 1 1 calc R A .
H33B H 1.0925 0.2726 -0.1357 0.087 Uiso 1 1 calc R . .
C34 C 0.9549(5) 0.1849(8) -0.1758(5) 0.102(4) Uani 1 1 d . A .
H34A H 0.9125 0.2357 -0.1807 0.122 Uiso 1 1 calc R . .
H34B H 0.9428 0.1411 -0.2398 0.122 Uiso 1 1 calc R . .
C35 C 0.9311(4) 0.1378(4) -0.1162(4) 0.0439(15) Uani 1 1 d . A .
H35A H 0.8552 0.1325 -0.1279 0.053 Uiso 1 1 calc R . .
H35B H 0.9523 0.0754 -0.1300 0.053 Uiso 1 1 calc R . .
O18 O 0.5377(2) 0.2128(2) 0.0004(3) 0.0386(9) Uani 0.50 1 d PD A 1
C36 C 0.4800(14) 0.2801(15) -0.032(2) 0.069(4) Uani 0.50 1 d PD A 1
H36A H 0.4529 0.2580 -0.1017 0.083 Uiso 0.50 1 calc PR A 1
H36B H 0.5275 0.3383 -0.0081 0.083 Uiso 0.50 1 calc PR A 1
C37 C 0.3913(9) 0.2972(8) 0.0007(10) 0.057(3) Uani 0.50 1 d PD A 1
H37A H 0.3326 0.3167 -0.0426 0.069 Uiso 0.50 1 calc PR A 1
H37B H 0.4133 0.3429 0.0653 0.069 Uiso 0.50 1 calc PR A 1
C38 C 0.3649(8) 0.2007(7) -0.0032(10) 0.054(3) Uani 0.50 1 d PD A 1
H38A H 0.3424 0.2034 0.0492 0.065 Uiso 0.50 1 calc PR A 1
H38B H 0.3069 0.1663 -0.0633 0.065 Uiso 0.50 1 calc PR A 1
C39 C 0.4601(7) 0.1536(7) 0.0044(9) 0.041(2) Uani 0.50 1 d PD A 1
H39A H 0.4866 0.1422 0.0646 0.050 Uiso 0.50 1 calc PR A 1
H39B H 0.4433 0.0938 -0.0480 0.050 Uiso 0.50 1 calc PR A 1
O18A O 0.5377(2) 0.2128(2) 0.0004(3) 0.0386(9) Uani 0.50 1 d PD A 2
C36A C 0.4618(10) 0.2736(13) -0.021(2) 0.069(4) Uani 0.50 1 d PD A 2
H36C H 0.4674 0.2941 -0.0709 0.083 Uiso 0.50 1 calc PR A 2
H36D H 0.4728 0.3285 0.0360 0.083 Uiso 0.50 1 calc PR A 2
C37A C 0.3580(9) 0.2193(8) -0.0526(10) 0.057(3) Uani 0.50 1 d PD A 2
H37C H 0.3026 0.2396 -0.0979 0.069 Uiso 0.50 1 calc PR A 2
H37D H 0.3375 0.2223 0.0010 0.069 Uiso 0.50 1 calc PR A 2
C38A C 0.3807(7) 0.1248(8) -0.0990(8) 0.054(3) Uani 0.50 1 d PD A 2
H38C H 0.3279 0.0767 -0.1058 0.065 Uiso 0.50 1 calc PR A 2
H38D H 0.3812 0.1173 -0.1619 0.065 Uiso 0.50 1 calc PR A 2
C39A C 0.4862(8) 0.1197(6) -0.0340(8) 0.041(2) Uani 0.50 1 d PD A 2
H39C H 0.4816 0.1019 0.0180 0.050 Uiso 0.50 1 calc PR A 2
H39D H 0.5231 0.0755 -0.0677 0.050 Uiso 0.50 1 calc PR A 2
O19 O -0.0939(3) 0.1014(2) 0.5766(3) 0.0488(11) Uani 1 1 d . . .
O20 O -0.0312(3) 0.2722(3) 0.5976(3) 0.0555(12) Uani 1 1 d . . .
H20 H -0.0852 0.2374 0.5559 0.083 Uiso 1 1 calc R . .
C40 C 0.0413(4) 0.2212(3) 0.6302(4) 0.0323(12) Uani 1 1 d . . .
C41 C 0.1435(4) 0.2591(4) 0.6736(4) 0.0380(13) Uani 1 1 d . . .
H41 H 0.1625 0.3205 0.6798 0.046 Uiso 1 1 calc R . .
C42 C 0.2197(5) 0.2097(5) 0.7084(5) 0.0594(18) Uani 1 1 d . . .
H42 H 0.2913 0.2361 0.7390 0.071 Uiso 1 1 calc R . .
C43 C 0.1888(7) 0.1186(6) 0.6974(8) 0.110(4) Uani 1 1 d . . .
H43 H 0.2402 0.0827 0.7205 0.132 Uiso 1 1 calc R . .
C44 C 0.0865(6) 0.0817(5) 0.6543(7) 0.097(3) Uani 1 1 d . . .
H44 H 0.0668 0.0205 0.6480 0.117 Uiso 1 1 calc R . .
C45 C 0.0112(5) 0.1315(4) 0.6198(5) 0.0484(16) Uani 1 1 d . . .
C46 C -0.1308(6) 0.0094(4) 0.5647(6) 0.082(3) Uani 1 1 d . . .
H46A H -0.0933 -0.0345 0.5326 0.123 Uiso 1 1 calc R . .
H46B H -0.2061 -0.0047 0.5269 0.123 Uiso 1 1 calc R . .
H46C H -0.1181 0.0050 0.6265 0.123 Uiso 1 1 calc R . .
O21 O 0.7601(3) 0.2513(3) 0.5291(3) 0.0491(10) Uani 1 1 d . . .
C47 C 0.7438(5) 0.3453(4) 0.5471(5) 0.0532(16) Uani 1 1 d . . .
H47A H 0.7412 0.3635 0.4933 0.064 Uiso 1 1 calc R . .
H47B H 0.8014 0.3857 0.6043 0.064 Uiso 1 1 calc R . .
C48 C 0.6424(6) 0.3530(5) 0.5606(7) 0.083(3) Uani 1 1 d . . .
H48A H 0.5845 0.3473 0.5010 0.100 Uiso 1 1 calc R . .
H48B H 0.6450 0.4128 0.6090 0.100 Uiso 1 1 calc R . .
C49 C 0.6281(7) 0.2756(5) 0.5919(7) 0.088(3) Uani 1 1 d . . .
H49A H 0.6560 0.2954 0.6614 0.106 Uiso 1 1 calc R . .
H49B H 0.5532 0.2501 0.5671 0.106 Uiso 1 1 calc R . .
C50 C 0.6893(6) 0.2072(5) 0.5512(7) 0.088(3) Uani 1 1 d . . .
H50A H 0.7277 0.1783 0.5972 0.105 Uiso 1 1 calc R . .
H50B H 0.6413 0.1583 0.4938 0.105 Uiso 1 1 calc R . .
O22 O 0.5454(7) 0.9238(6) 0.2727(7) 0.081(3) Uani 0.50 1 d PD . .
C51 C 0.5472(11) 0.9267(12) 0.3616(10) 0.090(5) Uani 0.50 1 d PDU . .
H51A H 0.6087 0.9695 0.4121 0.108 Uiso 0.50 1 calc PR . .
H51B H 0.5537 0.8648 0.3661 0.108 Uiso 0.50 1 calc PR . .
C52 C 0.4534(9) 0.9566(10) 0.3737(7) 0.069(4) Uani 0.50 1 d PDU . .
H52A H 0.4584 1.0245 0.3980 0.083 Uiso 0.50 1 calc PR . .
H52B H 0.4346 0.9313 0.4157 0.083 Uiso 0.50 1 calc PR . .
C53 C 0.3795(7) 0.9158(7) 0.2749(6) 0.029(2) Uiso 0.50 1 d PD . .
H53A H 0.3296 0.8649 0.2671 0.035 Uiso 0.50 1 calc PR . .
H53B H 0.3394 0.9627 0.2542 0.035 Uiso 0.50 1 calc PR . .
C54 C 0.4447(7) 0.8827(8) 0.2228(7) 0.049(3) Uani 0.50 1 d PDU . .
H54A H 0.4424 0.8154 0.2070 0.058 Uiso 0.50 1 calc PR . .
H54B H 0.4179 0.8951 0.1632 0.058 Uiso 0.50 1 calc PR . .
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'
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
O18 Ag1 P1 135.21(10) . . ?
O18 Ag1 O9 87.42(14) . . ?
P1 Ag1 O9 116.28(10) . . ?
O18 Ag1 O13 88.54(13) . . ?
P1 Ag1 O13 123.11(9) . . ?
O9 Ag1 O13 95.65(12) . . ?
O18 Ag1 Ag2 136.40(10) . . ?
P1 Ag1 Ag2 87.71(3) . . ?
O9 Ag1 Ag2 76.30(10) . . ?
O13 Ag1 Ag2 54.13(8) . . ?
O17 Ag2 P2 138.65(8) . . ?
O17 Ag2 O10 79.86(12) . . ?
P2 Ag2 O10 125.07(11) . . ?
O17 Ag2 O13 85.33(12) . . ?
P2 Ag2 O13 129.73(9) . . ?
O10 Ag2 O13 75.19(16) . . ?
O17 Ag2 Ag1 134.63(8) . . ?
P2 Ag2 Ag1 85.68(3) . . ?
O10 Ag2 Ag1 78.89(12) . . ?
O13 Ag2 Ag1 50.59(8) . . ?
O12 Cl1 O11 109.3(3) . . ?
O12 Cl1 O10 108.5(3) . . ?
O11 Cl1 O10 110.1(3) . . ?
O12 Cl1 O9 109.7(3) . . ?
O11 Cl1 O9 109.2(3) . . ?
O10 Cl1 O9 110.0(2) . . ?
O14 Cl2 O15 108.9(3) . . ?
O14 Cl2 O16 110.0(2) . . ?
O15 Cl2 O16 110.3(2) . . ?
O14 Cl2 O13 110.5(2) . . ?
O15 Cl2 O13 108.2(2) . . ?
O16 Cl2 O13 109.0(2) . . ?
O1 P1 O3 99.86(17) . . ?
O1 P1 N1 98.78(17) . . ?
O3 P1 N1 104.47(17) . . ?
O1 P1 Ag1 121.33(13) . . ?
O3 P1 Ag1 110.50(11) . . ?
N1 P1 Ag1 119.10(13) . . ?
O7 P2 O5 98.89(16) . . ?
O7 P2 N1 98.87(17) . . ?
O5 P2 N1 102.80(16) . . ?
O7 P2 Ag2 117.81(12) . . ?
O5 P2 Ag2 114.91(12) . . ?
N1 P2 Ag2 120.15(13) . . ?
C1 O1 P1 118.8(3) . . ?
C6 O2 C7 117.7(4) . . ?
C8 O3 P1 119.0(3) . . ?
C13 O4 C14 117.3(3) . . ?
C15 O5 P2 122.5(3) . . ?
C20 O6 C21 116.9(4) . . ?
C22 O7 P2 126.5(3) . . ?
C27 O8 C28 116.8(4) . . ?
Cl1 O9 Ag1 129.1(2) . . ?
Cl1 O10 Ag2 125.2(2) . . ?
Cl2 O13 Ag1 117.5(2) . . ?
Cl2 O13 Ag2 110.76(19) . . ?
Ag1 O13 Ag2 75.28(9) . . ?
C35 O17 C32 107.7(4) . . ?
C35 O17 Ag2 124.6(3) . . ?
C32 O17 Ag2 121.7(3) . . ?
C30 N1 P1 118.4(3) . . ?
C30 N1 P2 120.1(3) . . ?
P1 N1 P2 121.4(2) . . ?
C2 C1 C6 122.3(4) . . ?
C2 C1 O1 119.8(4) . . ?
C6 C1 O1 117.9(4) . . ?
C1 C2 C3 118.7(5) . . ?
C4 C3 C2 120.4(5) . . ?
C3 C4 C5 120.5(5) . . ?
C4 C5 C6 120.2(5) . . ?
O2 C6 C1 116.8(4) . . ?
O2 C6 C5 125.2(5) . . ?
C1 C6 C5 118.0(5) . . ?
C9 C8 C13 121.4(4) . . ?
C9 C8 O3 119.5(4) . . ?
C13 C8 O3 119.0(4) . . ?
C8 C9 C10 119.8(5) . . ?
C11 C10 C9 119.6(5) . . ?
C12 C11 C10 120.5(5) . . ?
C11 C12 C13 119.8(5) . . ?
O4 C13 C8 115.0(4) . . ?
O4 C13 C12 126.1(4) . . ?
C8 C13 C12 118.9(4) . . ?
C16 C15 O5 118.8(4) . . ?
C16 C15 C20 121.2(4) . . ?
O5 C15 C20 119.8(4) . . ?
C15 C16 C17 119.5(5) . . ?
C18 C17 C16 120.3(5) . . ?
C17 C18 C19 120.3(5) . . ?
C18 C19 C20 120.4(5) . . ?
O6 C20 C19 126.4(4) . . ?
O6 C20 C15 115.3(4) . . ?
C19 C20 C15 118.3(4) . . ?
C23 C22 O7 118.3(4) . . ?
C23 C22 C27 121.4(4) . . ?
O7 C22 C27 120.3(4) . . ?
C22 C23 C24 119.8(5) . . ?
C25 C24 C23 119.4(5) . . ?
C24 C25 C26 121.9(5) . . ?
C25 C26 C27 118.6(5) . . ?
O8 C27 C22 115.7(4) . . ?
O8 C27 C26 125.3(4) . . ?
C22 C27 C26 118.9(5) . . ?
C30 C29 C31 119.2(4) . 2_766 ?
C31 C30 C29 121.3(4) . . ?
C31 C30 N1 119.2(4) . . ?
C29 C30 N1 119.5(4) . . ?
C30 C31 C29 119.6(4) . 2_766 ?
O17 C32 C33 107.7(5) . . ?
C32 C33 C34 100.8(5) . . ?
C35 C34 C33 101.4(5) . . ?
O17 C35 C34 105.3(5) . . ?
C39 O18 C36 104.2(9) . . ?
C39 O18 Ag1 128.5(5) . . ?
C36 O18 Ag1 115.7(10) . . ?
O18 C36 C37 110.8(12) . . ?
C36 C37 C38 97.9(11) . . ?
C39 C38 C37 108.4(9) . . ?
O18 C39 C38 107.5(8) . . ?
C36A C37A C38A 100.3(12) . . ?
C39A C38A C37A 104.0(9) . . ?
C45 O19 C46 118.8(5) . . ?
O20 C40 C41 118.8(5) . . ?
O20 C40 C45 120.1(5) . . ?
C41 C40 C45 121.0(5) . . ?
C40 C41 C42 120.7(5) . . ?
C41 C42 C43 118.1(6) . . ?
C44 C43 C42 120.5(7) . . ?
C43 C44 C45 120.9(6) . . ?
O19 C45 C44 125.4(5) . . ?
O19 C45 C40 115.8(5) . . ?
C44 C45 C40 118.8(6) . . ?
C50 O21 C47 109.0(5) . . ?
O21 C47 C48 106.5(5) . . ?
C47 C48 C49 104.8(6) . . ?
C50 C49 C48 103.2(6) . . ?
O21 C50 C49 109.3(6) . . ?
C54 O22 C51 96.3(10) . . ?
O22 C51 C52 110.2(11) . . ?
C51 C52 C53 99.0(10) . . ?
C54 C53 C52 104.4(8) . . ?
O22 C54 C53 111.2(9) . . ?
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 O18 2.259(3) . ?
Ag1 P1 2.3378(12) . ?
Ag1 O9 2.433(4) . ?
Ag1 O13 2.468(3) . ?
Ag1 Ag2 3.0900(6) . ?
Ag2 O17 2.285(3) . ?
Ag2 P2 2.3432(12) . ?
Ag2 O10 2.400(4) . ?
Ag2 O13 2.589(3) . ?
Cl1 O12 1.413(4) . ?
Cl1 O11 1.421(4) . ?
Cl1 O10 1.423(4) . ?
Cl1 O9 1.434(4) . ?
Cl2 O14 1.422(4) . ?
Cl2 O15 1.425(4) . ?
Cl2 O16 1.425(4) . ?
Cl2 O13 1.466(4) . ?
P1 O1 1.615(3) . ?
P1 O3 1.619(3) . ?
P1 N1 1.665(3) . ?
P2 O7 1.609(3) . ?
P2 O5 1.612(3) . ?
P2 N1 1.680(4) . ?
O1 C1 1.404(5) . ?
O2 C6 1.356(6) . ?
O2 C7 1.425(6) . ?
O3 C8 1.394(5) . ?
O4 C13 1.351(5) . ?
O4 C14 1.443(5) . ?
O5 C15 1.396(5) . ?
O6 C20 1.363(5) . ?
O6 C21 1.430(5) . ?
O7 C22 1.396(5) . ?
O8 C27 1.362(5) . ?
O8 C28 1.431(6) . ?
O17 C35 1.421(6) . ?
O17 C32 1.449(6) . ?
N1 C30 1.459(5) . ?
C1 C2 1.367(6) . ?
C1 C6 1.393(7) . ?
C2 C3 1.397(7) . ?
C3 C4 1.372(7) . ?
C4 C5 1.383(7) . ?
C5 C6 1.397(7) . ?
C8 C9 1.370(7) . ?
C8 C13 1.381(6) . ?
C9 C10 1.387(7) . ?
C10 C11 1.384(8) . ?
C11 C12 1.384(7) . ?
C12 C13 1.396(6) . ?
C15 C16 1.367(6) . ?
C15 C20 1.405(6) . ?
C16 C17 1.391(7) . ?
C17 C18 1.373(7) . ?
C18 C19 1.385(7) . ?
C19 C20 1.390(6) . ?
C22 C23 1.371(6) . ?
C22 C27 1.396(6) . ?
C23 C24 1.381(7) . ?
C24 C25 1.374(8) . ?
C25 C26 1.390(7) . ?
C26 C27 1.397(6) . ?
C29 C30 1.383(6) . ?
C29 C31 1.390(6) 2_766 ?
C30 C31 1.378(6) . ?
C31 C29 1.390(6) 2_766 ?
C32 C33 1.481(9) . ?
C33 C34 1.518(9) . ?
C34 C35 1.502(8) . ?
O18 C39 1.436(8) . ?
O18 C36 1.441(9) . ?
C36 C37 1.484(10) . ?
C37 C38 1.516(9) . ?
C38 C39 1.489(9) . ?
C36A C37A 1.485(10) . ?
C37A C38A 1.504(9) . ?
C38A C39A 1.484(9) . ?
O19 C45 1.366(7) . ?
O19 C46 1.441(6) . ?
O20 C40 1.347(6) . ?
C40 C41 1.358(7) . ?
C40 C45 1.389(7) . ?
C41 C42 1.372(8) . ?
C42 C43 1.411(9) . ?
C43 C44 1.355(11) . ?
C44 C45 1.367(9) . ?
O21 C50 1.394(7) . ?
O21 C47 1.428(7) . ?
C47 C48 1.484(9) . ?
C48 C49 1.486(10) . ?
C49 C50 1.485(9) . ?
O22 C54 1.358(8) . ?
O22 C51 1.416(9) . ?
C51 C52 1.429(9) . ?
C52 C53 1.480(9) . ?
C53 C54 1.424(8) . ?
