#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:15:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179806 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/02/7010290.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_7010290
loop_
_publ_author_name
'Bowmaker, Graham A.'
'Hanna, John V.'
'Rickard, Clifton E. F.'
'Lipton, Andrew S.'
_publ_section_title
;
 Crystal structures and vibrational and solid-state (CPMAS) NMR
 spectroscopy of some bis(triphenylphosphine)silver(I) sulfate,
 selenate and phosphate systems
;
_journal_issue                   1
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              20
_journal_paper_doi               10.1039/b007796h
_journal_year                    2001
_chemical_formula_sum            'C72 H64 Ag2 O6 P4 Se'
_chemical_formula_weight         1443.81
_chemical_name_systematic
; 
 mu-selenatotetra(triphenylphosphine)disilver(I) 
;
_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                91.5060(10)
_cell_angle_beta                 95.2500(10)
_cell_angle_gamma                117.95
_cell_formula_units_Z            2
_cell_length_a                   12.46450(10)
_cell_length_b                   13.264
_cell_length_c                   21.85890(10)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27
_cell_measurement_theta_min      2
_cell_volume                     3169.14(3)
_computing_cell_refinement       'Siemens SMART'
_computing_data_collection       'Siemens SMART (Siemens, 1995)'
_computing_data_reduction        'Siemens SAINT  (Siemens, 1995)'
_computing_molecular_graphics    'Siemens SHELXTL (Siemens, 1994)'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 Sheldrick, (1997)'
_computing_structure_solution    'SHELXS Sheldrick, (1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.964
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Siemens SMART'
_diffrn_measurement_method       'Area detector ω 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  0.0147
_diffrn_reflns_av_sigmaI/netI    0.0211
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            30330
_diffrn_reflns_theta_full        27.05
_diffrn_reflns_theta_max         27.05
_diffrn_reflns_theta_min         1.74
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.346
_exptl_absorpt_correction_T_max  0.7745
_exptl_absorpt_correction_T_min  0.5301
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, 1995'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.513
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.54
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.418
_refine_diff_density_min         -0.524
_refine_diff_density_rms         0.048
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     774
_refine_ls_number_reflns         13379
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0217
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0236P)²+1.3760P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0527
_refine_ls_wR_factor_ref         0.0546
_reflns_number_gt                11996
_reflns_number_total             13379
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b007796h.txt
_cod_data_source_block           gab9964
_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.

'_exptl_absorpt_correction_type' value 'Multi-scan' changed
to 'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0236P)^2^+1.3760P] 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^)+(0.0236P)^2^+1.3760P] 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               7010290
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.497111(11) 0.668611(11) 0.639383(6) 0.02778(4) Uani 1 d . . .
Ag2 Ag 0.666931(12) 0.641888(11) 0.856438(6) 0.02982(4) Uani 1 d . . .
Se Se 0.523300(16) 0.476488(14) 0.738011(8) 0.02745(4) Uani 1 d . . .
P1 P 0.27962(4) 0.59553(4) 0.59462(2) 0.02647(9) Uani 1 d . . .
P2 P 0.67693(4) 0.83208(4) 0.61282(2) 0.02427(9) Uani 1 d . . .
P3 P 0.80479(4) 0.57691(4) 0.90789(2) 0.02657(9) Uani 1 d . . .
P4 P 0.64097(4) 0.80659(4) 0.88517(2) 0.02673(9) Uani 1 d . . .
O1 O 0.44855(15) 0.50188(13) 0.67999(8) 0.0605(5) Uani 1 d . . .
O2 O 0.52653(14) 0.35830(12) 0.71978(7) 0.0433(3) Uani 1 d . . .
O3 O 0.46080(14) 0.47047(13) 0.80155(7) 0.0508(4) Uani 1 d . . .
O4 O 0.66356(12) 0.58387(11) 0.75093(6) 0.0362(3) Uani 1 d . . .
C1 C 0.16015(15) 0.46653(15) 0.62244(9) 0.0289(4) Uani 1 d . . .
C2 C 0.06025(17) 0.38569(16) 0.58343(10) 0.0364(4) Uani 1 d . . .
H2B H 0.0544 0.3949 0.5405 0.044 Uiso 1 calc R . .
C3 C -0.03112(18) 0.29131(17) 0.60702(11) 0.0431(5) Uani 1 d . . .
H3B H -0.0989 0.2361 0.5801 0.052 Uiso 1 calc R . .
C4 C -0.0238(2) 0.27762(18) 0.66936(12) 0.0462(5) Uani 1 d . . .
H4A H -0.0883 0.2152 0.6856 0.055 Uiso 1 calc R . .
C5 C 0.0775(2) 0.3548(2) 0.70814(11) 0.0551(6) Uani 1 d . . .
H5A H 0.0840 0.3438 0.7508 0.066 Uiso 1 calc R . .
C6 C 0.1702(2) 0.44889(19) 0.68470(10) 0.0450(5) Uani 1 d . . .
H6A H 0.2405 0.5011 0.7113 0.054 Uiso 1 calc R . .
C7 C 0.22091(15) 0.69881(15) 0.59454(8) 0.0263(3) Uani 1 d . . .
C8 C 0.30473(17) 0.81467(16) 0.59536(8) 0.0317(4) Uani 1 d . . .
H8A H 0.3898 0.8380 0.5988 0.038 Uiso 1 calc R . .
C9 C 0.26475(19) 0.89629(17) 0.59111(9) 0.0377(4) Uani 1 d . . .
H9A H 0.3225 0.9750 0.5913 0.045 Uiso 1 calc R . .
C10 C 0.1415(2) 0.86333(18) 0.58660(10) 0.0417(5) Uani 1 d . . .
H10A H 0.1143 0.9192 0.5835 0.050 Uiso 1 calc R . .
C11 C 0.05729(19) 0.74849(19) 0.58664(11) 0.0469(5) Uani 1 d . . .
H11A H -0.0276 0.7259 0.5839 0.056 Uiso 1 calc R . .
C12 C 0.09643(17) 0.66686(17) 0.59070(10) 0.0376(4) Uani 1 d . . .
H12A H 0.0382 0.5884 0.5909 0.045 Uiso 1 calc R . .
C13 C 0.27017(15) 0.55630(14) 0.51277(8) 0.0272(3) Uani 1 d . . .
C14 C 0.21564(17) 0.59272(16) 0.46608(9) 0.0316(4) Uani 1 d . . .
H14A H 0.1781 0.6378 0.4765 0.038 Uiso 1 calc R . .
C15 C 0.21559(19) 0.56370(17) 0.40434(9) 0.0383(4) Uani 1 d . . .
H15A H 0.1778 0.5886 0.3729 0.046 Uiso 1 calc R . .
C16 C 0.27071(19) 0.49851(17) 0.38879(10) 0.0423(5) Uani 1 d . . .
H16A H 0.2712 0.4789 0.3467 0.051 Uiso 1 calc R . .
C17 C 0.3248(2) 0.46228(18) 0.43484(11) 0.0464(5) Uani 1 d . . .
H17A H 0.3622 0.4172 0.4241 0.056 Uiso 1 calc R . .
C18 C 0.32573(19) 0.49049(17) 0.49641(10) 0.0396(4) Uani 1 d . . .
H18A H 0.3639 0.4653 0.5275 0.048 Uiso 1 calc R . .
C19 C 0.65437(15) 0.95877(14) 0.61550(8) 0.0263(3) Uani 1 d . . .
C20 C 0.62891(18) 0.99207(16) 0.67134(9) 0.0338(4) Uani 1 d . . .
H20A H 0.6284 0.9517 0.7067 0.041 Uiso 1 calc R . .
C21 C 0.60437(19) 1.08368(17) 0.67540(10) 0.0394(4) Uani 1 d . . .
H21A H 0.5884 1.1064 0.7136 0.047 Uiso 1 calc R . .
C22 C 0.60311(18) 1.14194(17) 0.62416(10) 0.0401(5) Uani 1 d . . .
H22A H 0.5865 1.2048 0.6271 0.048 Uiso 1 calc R . .
C23 C 0.6261(2) 1.10855(17) 0.56860(10) 0.0417(5) Uani 1 d . . .
H23A H 0.6240 1.1478 0.5332 0.050 Uiso 1 calc R . .
C24 C 0.65232(18) 1.01764(16) 0.56421(9) 0.0346(4) Uani 1 d . . .
H24A H 0.6689 0.9958 0.5259 0.041 Uiso 1 calc R . .
C25 C 0.70223(15) 0.81302(14) 0.53303(8) 0.0263(3) Uani 1 d . . .
C26 C 0.60041(17) 0.75608(16) 0.48883(8) 0.0326(4) Uani 1 d . . .
H26A H 0.5209 0.7326 0.5003 0.039 Uiso 1 calc R . .
C27 C 0.61388(19) 0.73336(17) 0.42840(9) 0.0375(4) Uani 1 d . . .
H27A H 0.5439 0.6951 0.3988 0.045 Uiso 1 calc R . .
C28 C 0.7293(2) 0.76647(18) 0.41143(9) 0.0401(4) Uani 1 d . . .
H28A H 0.7388 0.7499 0.3703 0.048 Uiso 1 calc R . .
C29 C 0.8314(2) 0.82411(19) 0.45477(10) 0.0420(5) Uani 1 d . . .
H29A H 0.9107 0.8477 0.4430 0.050 Uiso 1 calc R . .
C30 C 0.81846(17) 0.84750(17) 0.51517(9) 0.0343(4) Uani 1 d . . .
H30A H 0.8889 0.8871 0.5444 0.041 Uiso 1 calc R . .
C31 C 0.82495(15) 0.87818(15) 0.65762(8) 0.0256(3) Uani 1 d . . .
C32 C 0.84225(17) 0.79952(16) 0.69280(8) 0.0319(4) Uani 1 d . . .
H32A H 0.7767 0.7246 0.6944 0.038 Uiso 1 calc R . .
C33 C 0.95598(19) 0.83140(19) 0.72555(9) 0.0409(5) Uani 1 d . . .
H33A H 0.9677 0.7779 0.7495 0.049 Uiso 1 calc R . .
C34 C 1.05206(18) 0.9401(2) 0.72352(10) 0.0417(5) Uani 1 d . . .
H34A H 1.1295 0.9609 0.7458 0.050 Uiso 1 calc R . .
C35 C 1.03552(17) 1.01894(18) 0.68892(9) 0.0381(4) Uani 1 d . . .
H35A H 1.1014 1.0938 0.6877 0.046 Uiso 1 calc R . .
C36 C 0.92248(16) 0.98820(15) 0.65599(8) 0.0314(4) Uani 1 d . . .
H36A H 0.9114 1.0422 0.6322 0.038 Uiso 1 calc R . .
C37 C 0.78703(16) 0.55576(14) 0.98935(8) 0.0278(3) Uani 1 d . . .
C38 C 0.88435(17) 0.59308(16) 1.03578(9) 0.0329(4) Uani 1 d . . .
H38A H 0.9658 0.6306 1.0255 0.040 Uiso 1 calc R . .
C39 C 0.86394(19) 0.57615(18) 1.09703(9) 0.0387(4) Uani 1 d . . .
H39A H 0.9313 0.6016 1.1283 0.046 Uiso 1 calc R . .
C40 C 0.7462(2) 0.52254(17) 1.11258(10) 0.0404(5) Uani 1 d . . .
H40A H 0.7323 0.5117 1.1545 0.048 Uiso 1 calc R . .
C41 C 0.6483(2) 0.48456(19) 1.06689(11) 0.0452(5) Uani 1 d . . .
H41A H 0.5671 0.4472 1.0775 0.054 Uiso 1 calc R . .
C42 C 0.66813(18) 0.50071(18) 1.00567(10) 0.0405(5) Uani 1 d . . .
H42A H 0.6004 0.4742 0.9746 0.049 Uiso 1 calc R . .
C43 C 0.96447(16) 0.68383(15) 0.90612(8) 0.0282(4) Uani 1 d . . .
C44 C 0.99261(18) 0.79647(16) 0.89653(9) 0.0353(4) Uani 1 d . . .
H44A H 0.9286 0.8163 0.8900 0.042 Uiso 1 calc R . .
C45 C 1.1135(2) 0.88041(18) 0.89644(10) 0.0436(5) Uani 1 d . . .
H45A H 1.1316 0.9572 0.8904 0.052 Uiso 1 calc R . .
C46 C 1.2067(2) 0.8523(2) 0.90511(11) 0.0476(5) Uani 1 d . . .
H46A H 1.2891 0.9097 0.9050 0.057 Uiso 1 calc R . .
C47 C 1.1803(2) 0.7403(2) 0.91401(12) 0.0491(5) Uani 1 d . . .
H47A H 1.2448 0.7209 0.9199 0.059 Uiso 1 calc R . .
C48 C 1.06035(18) 0.65663(18) 0.91435(10) 0.0399(4) Uani 1 d . . .
H48A H 1.0429 0.5800 0.9202 0.048 Uiso 1 calc R . .
C49 C 0.79854(16) 0.44504(15) 0.87668(8) 0.0288(4) Uani 1 d . . .
C50 C 0.7902(2) 0.42868(18) 0.81306(9) 0.0401(5) Uani 1 d . . .
H50A H 0.7859 0.4841 0.7878 0.048 Uiso 1 calc R . .
C51 C 0.7880(2) 0.3313(2) 0.78616(11) 0.0501(6) Uani 1 d . . .
H51A H 0.7832 0.3209 0.7426 0.060 Uiso 1 calc R . .
C52 C 0.7929(2) 0.24969(18) 0.82264(11) 0.0453(5) Uani 1 d . . .
H52A H 0.7914 0.1833 0.8042 0.054 Uiso 1 calc R . .
C53 C 0.79988(18) 0.26450(17) 0.88564(11) 0.0409(5) Uani 1 d . . .
H53A H 0.8032 0.2082 0.9106 0.049 Uiso 1 calc R . .
C54 C 0.80212(17) 0.36163(16) 0.91310(9) 0.0343(4) Uani 1 d . . .
H54A H 0.8061 0.3710 0.9566 0.041 Uiso 1 calc R . .
C55 C 0.53296(16) 0.83384(16) 0.83584(8) 0.0292(4) Uani 1 d . . .
C56 C 0.53825(19) 0.94164(17) 0.83630(9) 0.0354(4) Uani 1 d . . .
H56A H 0.6026 1.0044 0.8612 0.043 Uiso 1 calc R . .
C57 C 0.4498(2) 0.9572(2) 0.80056(10) 0.0426(5) Uani 1 d . . .
H57A H 0.4531 1.0303 0.8014 0.051 Uiso 1 calc R . .
C58 C 0.3574(2) 0.8666(2) 0.76392(10) 0.0492(6) Uani 1 d . . .
H58A H 0.2970 0.8774 0.7396 0.059 Uiso 1 calc R . .
C59 C 0.3519(2) 0.7596(2) 0.76237(10) 0.0487(5) Uani 1 d . . .
H59A H 0.2878 0.6976 0.7369 0.058 Uiso 1 calc R . .
C60 C 0.43973(18) 0.74265(17) 0.79796(9) 0.0368(4) Uani 1 d . . .
H60A H 0.4363 0.6695 0.7965 0.044 Uiso 1 calc R . .
C61 C 0.59669(16) 0.80583(15) 0.96281(8) 0.0295(4) Uani 1 d . . .
C62 C 0.51782(18) 0.84728(17) 0.97876(10) 0.0380(4) Uani 1 d . . .
H62A H 0.4847 0.8786 0.9486 0.046 Uiso 1 calc R . .
C63 C 0.4878(2) 0.8427(2) 1.03849(11) 0.0497(5) Uani 1 d . . .
H63A H 0.4340 0.8709 1.0490 0.060 Uiso 1 calc R . .
C64 C 0.5354(2) 0.7975(2) 1.08291(11) 0.0531(6) Uani 1 d . . .
H64A H 0.5135 0.7938 1.1236 0.064 Uiso 1 calc R . .
C65 C 0.6147(2) 0.7577(2) 1.06785(10) 0.0512(6) Uani 1 d . . .
H65A H 0.6492 0.7282 1.0984 0.061 Uiso 1 calc R . .
C66 C 0.6442(2) 0.76085(19) 1.00795(9) 0.0408(5) Uani 1 d . . .
H66A H 0.6976 0.7319 0.9976 0.049 Uiso 1 calc R . .
C67 C 0.78589(16) 0.93862(15) 0.88775(8) 0.0284(4) Uani 1 d . . .
C68 C 0.8365(2) 0.97310(18) 0.83269(9) 0.0397(4) Uani 1 d . . .
H68A H 0.7921 0.9317 0.7948 0.048 Uiso 1 calc R . .
C69 C 0.9508(2) 1.06716(19) 0.83294(11) 0.0460(5) Uani 1 d . . .
H69A H 0.9836 1.0905 0.7951 0.055 Uiso 1 calc R . .
C70 C 1.0174(2) 1.12715(18) 0.88766(11) 0.0444(5) Uani 1 d . . .
H70A H 1.0963 1.1908 0.8877 0.053 Uiso 1 calc R . .
C71 C 0.9684(2) 1.09397(18) 0.94228(11) 0.0469(5) Uani 1 d . . .
H71A H 1.0140 1.1351 0.9801 0.056 Uiso 1 calc R . .
C72 C 0.85309(18) 1.00121(17) 0.94265(9) 0.0371(4) Uani 1 d . . .
H72A H 0.8198 0.9802 0.9805 0.045 Uiso 1 calc R . .
O5 O 0.36658(19) 0.13942(16) 0.73382(11) 0.0727(6) Uani 1 d . . .
H5 H 0.3215 0.1401 0.7600 0.087 Uiso 1 calc R . .
H5B H 0.433(3) 0.218(3) 0.7312(15) 0.087 Uiso 1 d . . .
O6 O 0.24270(17) 0.25499(17) 0.79291(9) 0.0651(5) Uani 1 d . . .
H6 H 0.2570 0.2033 0.7791 0.078 Uiso 1 calc R . .
H6B H 0.328(3) 0.342(3) 0.7941(13) 0.078 Uiso 1 d . . .
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'
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'
Se Se -0.0929 2.2259 '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
O1 Ag1 P2 138.40(5) . . ?
O1 Ag1 P1 90.38(4) . . ?
P2 Ag1 P1 128.353(16) . . ?
O4 Ag2 P4 122.21(4) . . ?
O4 Ag2 P3 100.36(4) . . ?
P4 Ag2 P3 128.755(16) . . ?
O4 Ag2 O3 62.46(4) . . ?
P4 Ag2 O3 111.74(4) . . ?
P3 Ag2 O3 112.73(4) . . ?
O2 Se O3 112.20(8) . . ?
O2 Se O1 108.10(8) . . ?
O3 Se O1 110.95(10) . . ?
O2 Se O4 110.24(7) . . ?
O3 Se O4 106.14(7) . . ?
O1 Se O4 109.19(7) . . ?
C13 P1 C1 103.65(8) . . ?
C13 P1 C7 103.51(8) . . ?
C1 P1 C7 105.02(8) . . ?
C13 P1 Ag1 107.14(6) . . ?
C1 P1 Ag1 119.31(6) . . ?
C7 P1 Ag1 116.41(6) . . ?
C31 P2 C19 104.52(8) . . ?
C31 P2 C25 104.79(8) . . ?
C19 P2 C25 104.98(8) . . ?
C31 P2 Ag1 120.46(6) . . ?
C19 P2 Ag1 109.82(6) . . ?
C25 P2 Ag1 111.05(6) . . ?
C49 P3 C37 104.29(8) . . ?
C49 P3 C43 103.48(8) . . ?
C37 P3 C43 105.45(8) . . ?
C49 P3 Ag2 118.41(6) . . ?
C37 P3 Ag2 113.51(6) . . ?
C43 P3 Ag2 110.49(6) . . ?
C55 P4 C67 104.36(8) . . ?
C55 P4 C61 105.04(8) . . ?
C67 P4 C61 104.06(8) . . ?
C55 P4 Ag2 118.09(6) . . ?
C67 P4 Ag2 110.54(5) . . ?
C61 P4 Ag2 113.47(6) . . ?
Se O1 Ag1 127.94(8) . . ?
Se O3 Ag2 91.17(6) . . ?
Se O4 Ag2 100.18(6) . . ?
C2 C1 C6 119.13(18) . . ?
C2 C1 P1 122.19(15) . . ?
C6 C1 P1 118.68(15) . . ?
C1 C2 C3 120.2(2) . . ?
C4 C3 C2 120.3(2) . . ?
C3 C4 C5 119.95(19) . . ?
C4 C5 C6 120.1(2) . . ?
C1 C6 C5 120.2(2) . . ?
C8 C7 C12 118.67(16) . . ?
C8 C7 P1 117.99(13) . . ?
C12 C7 P1 123.26(14) . . ?
C9 C8 C7 120.49(17) . . ?
C10 C9 C8 120.17(19) . . ?
C9 C10 C11 119.91(18) . . ?
C12 C11 C10 120.21(19) . . ?
C11 C12 C7 120.53(19) . . ?
C14 C13 C18 118.72(17) . . ?
C14 C13 P1 123.37(13) . . ?
C18 C13 P1 117.84(15) . . ?
C15 C14 C13 120.70(17) . . ?
C16 C15 C14 120.0(2) . . ?
C17 C16 C15 119.50(19) . . ?
C16 C17 C18 121.18(18) . . ?
C17 C18 C13 119.89(19) . . ?
C24 C19 C20 118.78(16) . . ?
C24 C19 P2 123.36(13) . . ?
C20 C19 P2 117.68(13) . . ?
C21 C20 C19 120.40(18) . . ?
C22 C21 C20 120.31(18) . . ?
C21 C22 C23 119.74(18) . . ?
C22 C23 C24 120.39(19) . . ?
C19 C24 C23 120.36(18) . . ?
C30 C25 C26 118.62(16) . . ?
C30 C25 P2 122.80(14) . . ?
C26 C25 P2 118.49(13) . . ?
C27 C26 C25 120.95(18) . . ?
C28 C27 C26 119.94(18) . . ?
C27 C28 C29 119.69(18) . . ?
C28 C29 C30 120.59(19) . . ?
C29 C30 C25 120.20(18) . . ?
C32 C31 C36 119.31(16) . . ?
C32 C31 P2 118.64(13) . . ?
C36 C31 P2 122.00(13) . . ?
C33 C32 C31 119.70(18) . . ?
C34 C33 C32 120.64(19) . . ?
C33 C34 C35 120.03(18) . . ?
C34 C35 C36 119.90(19) . . ?
C35 C36 C31 120.40(17) . . ?
C38 C37 C42 118.46(17) . . ?
C38 C37 P3 123.94(14) . . ?
C42 C37 P3 117.59(14) . . ?
C37 C38 C39 120.80(18) . . ?
C40 C39 C38 120.19(19) . . ?
C39 C40 C41 119.72(19) . . ?
C40 C41 C42 120.35(19) . . ?
C41 C42 C37 120.49(19) . . ?
C44 C43 C48 118.41(18) . . ?
C44 C43 P3 119.32(14) . . ?
C48 C43 P3 122.27(14) . . ?
C45 C44 C43 120.71(18) . . ?
C46 C45 C44 120.1(2) . . ?
C45 C46 C47 120.1(2) . . ?
C48 C47 C46 120.0(2) . . ?
C47 C48 C43 120.69(19) . . ?
C50 C49 C54 119.15(17) . . ?
C50 C49 P3 117.21(14) . . ?
C54 C49 P3 123.63(14) . . ?
C49 C50 C51 120.28(19) . . ?
C52 C51 C50 120.1(2) . . ?
C53 C52 C51 120.03(19) . . ?
C52 C53 C54 120.36(19) . . ?
C53 C54 C49 120.02(19) . . ?
C60 C55 C56 119.41(17) . . ?
C60 C55 P4 118.41(14) . . ?
C56 C55 P4 122.14(14) . . ?
C57 C56 C55 120.31(19) . . ?
C58 C57 C56 119.90(19) . . ?
C57 C58 C59 120.43(19) . . ?
C58 C59 C60 120.3(2) . . ?
C59 C60 C55 119.58(19) . . ?
C66 C61 C62 118.70(18) . . ?
C66 C61 P4 117.76(14) . . ?
C62 C61 P4 123.54(15) . . ?
C63 C62 C61 120.0(2) . . ?
C64 C63 C62 120.7(2) . . ?
C65 C64 C63 119.7(2) . . ?
C64 C65 C66 119.9(2) . . ?
C65 C66 C61 120.9(2) . . ?
C72 C67 C68 118.40(18) . . ?
C72 C67 P4 122.92(15) . . ?
C68 C67 P4 118.46(14) . . ?
C69 C68 C67 120.57(19) . . ?
C70 C69 C68 120.5(2) . . ?
C71 C70 C69 119.5(2) . . ?
C70 C71 C72 120.7(2) . . ?
C71 C72 C67 120.37(19) . . ?
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 O1 2.2342(15) . ?
Ag1 P2 2.4105(5) . ?
Ag1 P1 2.4994(4) . ?
Ag2 O4 2.4025(13) . ?
Ag2 P4 2.4289(4) . ?
Ag2 P3 2.4590(4) . ?
Ag2 O3 2.6507(16) . ?
Se O2 1.6271(13) . ?
Se O3 1.6394(14) . ?
Se O1 1.6403(15) . ?
Se O4 1.6489(13) . ?
P1 C13 1.8279(18) . ?
P1 C1 1.8294(18) . ?
P1 C7 1.8309(17) . ?
P2 C31 1.8213(17) . ?
P2 C19 1.8296(17) . ?
P2 C25 1.8323(17) . ?
P3 C49 1.8250(18) . ?
P3 C37 1.8272(18) . ?
P3 C43 1.8289(19) . ?
P4 C55 1.8212(18) . ?
P4 C67 1.8285(19) . ?
P4 C61 1.8308(18) . ?
C1 C2 1.390(3) . ?
C1 C6 1.391(3) . ?
C2 C3 1.391(3) . ?
C3 C4 1.380(3) . ?
C4 C5 1.381(3) . ?
C5 C6 1.395(3) . ?
C7 C8 1.394(2) . ?
C7 C12 1.397(2) . ?
C8 C9 1.390(3) . ?
C9 C10 1.379(3) . ?
C10 C11 1.387(3) . ?
C11 C12 1.382(3) . ?
C13 C14 1.394(3) . ?
C13 C18 1.402(2) . ?
C14 C15 1.394(3) . ?
C15 C16 1.385(3) . ?
C16 C17 1.380(3) . ?
C17 C18 1.385(3) . ?
C19 C24 1.388(3) . ?
C19 C20 1.400(2) . ?
C20 C21 1.388(3) . ?
C21 C22 1.381(3) . ?
C22 C23 1.381(3) . ?
C23 C24 1.393(3) . ?
C25 C30 1.397(2) . ?
C25 C26 1.398(2) . ?
C26 C27 1.390(3) . ?
C27 C28 1.384(3) . ?
C28 C29 1.389(3) . ?
C29 C30 1.389(3) . ?
C31 C32 1.396(2) . ?
C31 C36 1.399(2) . ?
C32 C33 1.392(3) . ?
C33 C34 1.382(3) . ?
C34 C35 1.386(3) . ?
C35 C36 1.389(3) . ?
C37 C38 1.390(3) . ?
C37 C42 1.397(3) . ?
C38 C39 1.390(3) . ?
C39 C40 1.379(3) . ?
C40 C41 1.383(3) . ?
C41 C42 1.387(3) . ?
C43 C44 1.392(3) . ?
C43 C48 1.400(3) . ?
C44 C45 1.392(3) . ?
C45 C46 1.376(3) . ?
C46 C47 1.387(3) . ?
C47 C48 1.384(3) . ?
C49 C50 1.389(3) . ?
C49 C54 1.395(3) . ?
C50 C51 1.393(3) . ?
C51 C52 1.381(3) . ?
C52 C53 1.375(3) . ?
C53 C54 1.394(3) . ?
C55 C60 1.397(3) . ?
C55 C56 1.400(3) . ?
C56 C57 1.390(3) . ?
C57 C58 1.377(3) . ?
C58 C59 1.387(3) . ?
C59 C60 1.393(3) . ?
C61 C66 1.392(3) . ?
C61 C62 1.396(3) . ?
C62 C63 1.386(3) . ?
C63 C64 1.383(3) . ?
C64 C65 1.380(3) . ?
C65 C66 1.389(3) . ?
C67 C72 1.394(3) . ?
C67 C68 1.397(3) . ?
C68 C69 1.385(3) . ?
C69 C70 1.379(3) . ?
C70 C71 1.379(3) . ?
C71 C72 1.387(3) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O5 H5 O6 0.84 2.30 2.980(3) 138.6 .
O5 H5B O2 0.99(3) 1.71(3) 2.689(2) 170(3) .
O6 H6B O3 1.14(3) 1.72(3) 2.862(2) 176(2) .
