#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:44:30 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179075 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/37/4303778.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_4303778
loop_
_publ_author_name
'So Young Lee'
'Sunhong Park'
'Shim Sung Lee'
_publ_contact_author_address
;
Department of Chemistry and Research Institute of Natural Science, 
Gyeongsang National University, Jinju 660-701, South Korea
;
_publ_contact_author_email       sslee@gnu.ac.kr
_publ_contact_author_fax         +82-55-753-7614
_publ_contact_author_name        'Shim Sung Lee'
_publ_contact_author_phone       +82-55-751-6021
_publ_section_title
;
Copper(I), Silver(I), and Palladium(II) Complexes of a Thiaoxamacrocycle
Displaying Unusual Topologies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11335
_journal_page_last               11341
_journal_paper_doi               10.1021/ic901902t
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C54 H60 Ag2 F12 O6 P2 S6'
_chemical_formula_weight         1503.06
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 106.928(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.8135(10)
_cell_length_b                   23.679(2)
_cell_length_c                   12.2325(11)
_cell_measurement_temperature    298(2)
_cell_volume                     3273.6(5)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  '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  0.0724
_diffrn_reflns_av_sigmaI/netI    0.1449
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            20593
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    0.917
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.525
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1520
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.460
_refine_diff_density_min         -0.705
_refine_diff_density_rms         0.197
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.03(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         12550
_refine_ls_number_restraints     50
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.1715
_refine_ls_R_factor_gt           0.0682
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0900P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1603
_refine_ls_wR_factor_ref         0.2061
_reflns_number_gt                5791
_reflns_number_total             12550
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901902t_si_001_5.cif
_cod_data_source_block           Complex4
_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               4303778
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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 0.47717(9) 0.38133(4) 0.85949(9) 0.0613(3) Uani 1 1 d . . .
Ag2 Ag 0.73250(8) 0.56690(4) 0.59229(9) 0.0565(3) Uani 1 1 d . . .
P1 P 0.8037(3) 0.12121(17) 0.9491(3) 0.0651(11) Uani 1 1 d . . .
P2 P 0.9591(4) 0.32750(19) 0.3117(4) 0.0802(13) Uani 1 1 d . . .
F1 F 0.7770(14) 0.0649(8) 0.8811(13) 0.179(6) Uani 1 1 d . . .
F2 F 0.7931(10) 0.0908(6) 1.0576(10) 0.146(5) Uani 1 1 d . . .
F3 F 0.9386(7) 0.1054(5) 0.9844(10) 0.120(4) Uani 1 1 d . . .
F4 F 0.8328(11) 0.1774(5) 1.0146(17) 0.199(8) Uani 1 1 d . . .
F5 F 0.8117(10) 0.1516(7) 0.8398(10) 0.162(6) Uani 1 1 d . . .
F6 F 0.6699(7) 0.1380(5) 0.9172(8) 0.111(3) Uani 1 1 d . . .
F7 F 0.9746(16) 0.2986(8) 0.4277(13) 0.235(10) Uani 1 1 d . . .
F8 F 0.9121(18) 0.2779(7) 0.2426(16) 0.255(11) Uani 1 1 d . . .
F9 F 0.8365(10) 0.3453(8) 0.3050(12) 0.194(8) Uani 1 1 d . . .
F10 F 0.9485(11) 0.3621(6) 0.1947(9) 0.141(5) Uani 1 1 d . . .
F11 F 1.0297(15) 0.3813(7) 0.3711(13) 0.184(6) Uani 1 1 d . . .
F12 F 1.0937(11) 0.3119(8) 0.3169(13) 0.194(7) Uani 1 1 d . . .
S1 S 0.4720(3) 0.31183(17) 1.0162(3) 0.0664(11) Uani 1 1 d . . .
S2 S 0.6722(3) 0.33254(15) 0.8557(3) 0.0614(9) Uani 1 1 d . . .
S3 S 0.6351(3) 0.47494(14) 0.5386(3) 0.0526(8) Uani 1 1 d . . .
S4 S 0.4279(3) 0.47732(15) 0.7845(3) 0.0561(9) Uani 1 1 d . . .
S5 S 0.7402(3) 0.63758(15) 0.7557(3) 0.0560(9) Uani 1 1 d . . .
S6 S 0.9183(3) 0.61546(16) 0.5773(4) 0.0644(10) Uani 1 1 d . . .
O1 O 0.2707(10) 0.3142(7) 0.7395(11) 0.123(5) Uani 1 1 d . . .
O2 O 0.4342(9) 0.3246(5) 0.6316(8) 0.076(3) Uani 1 1 d . . .
O3 O 0.8457(7) 0.4701(4) 0.8282(7) 0.060(2) Uani 1 1 d . . .
O4 O 0.7044(8) 0.4886(4) 0.9805(8) 0.066(3) Uani 1 1 d . . .
O5 O 0.5159(9) 0.6224(7) 0.5009(10) 0.122(5) Uani 1 1 d . . .
O6 O 0.6523(12) 0.6240(7) 0.3655(10) 0.133(6) Uani 1 1 d . . .
C1 C 0.2430(7) 0.3310(3) 0.6285(7) 0.107(7) Uani 1 1 d . . .
H1A H 0.1666 0.3150 0.5884 0.128 Uiso 1 1 calc R . .
H1B H 0.2340 0.3718 0.6266 0.128 Uiso 1 1 calc R . .
C2 C 0.1980(7) 0.3119(3) 0.8123(7) 0.107(6) Uani 1 1 d RU . .
C3 C 0.0831(7) 0.3328(3) 0.7753(7) 0.150(10) Uani 1 1 d RU . .
H3A H 0.0577 0.3524 0.7066 0.180 Uiso 1 1 calc R . .
C4 C 0.0063(7) 0.3243(3) 0.8409(7) 0.151(10) Uani 1 1 d RU . .
H4A H -0.0705 0.3383 0.8161 0.181 Uiso 1 1 calc R . .
C5 C 0.0443(7) 0.2950(3) 0.9435(7) 0.172(10) Uani 1 1 d RU . .
H5A H -0.0071 0.2893 0.9874 0.206 Uiso 1 1 calc R . .
C6 C 0.1591(7) 0.2741(3) 0.9805(7) 0.127(7) Uani 1 1 d RU . .
H6A H 0.1846 0.2545 1.0492 0.152 Uiso 1 1 calc R . .
C7 C 0.2360(7) 0.2826(3) 0.9149(7) 0.082(5) Uani 1 1 d RU . .
C8 C 0.3611(11) 0.2587(7) 0.9453(14) 0.074(5) Uani 1 1 d . . .
H8A H 0.3775 0.2457 0.8762 0.089 Uiso 1 1 calc R . .
H8B H 0.3669 0.2264 0.9955 0.089 Uiso 1 1 calc R . .
C9 C 0.6136(12) 0.2729(7) 1.0285(13) 0.074(5) Uani 1 1 d . . .
H9A H 0.6444 0.2599 1.1067 0.089 Uiso 1 1 calc R . .
H9B H 0.5943 0.2396 0.9804 0.089 Uiso 1 1 calc R . .
C10 C 0.7127(14) 0.3042(8) 0.9974(14) 0.084(5) Uani 1 1 d . . .
H10A H 0.7786 0.2785 1.0058 0.101 Uiso 1 1 calc R . .
H10B H 0.7398 0.3348 1.0512 0.101 Uiso 1 1 calc R . .
C11 C 0.6251(7) 0.2680(2) 0.7684(6) 0.071(4) Uani 1 1 d . . .
H11A H 0.6810 0.2377 0.7973 0.085 Uiso 1 1 calc R . .
H11B H 0.5479 0.2560 0.7726 0.085 Uiso 1 1 calc R . .
C12 C 0.6196(7) 0.2808(2) 0.6482(6) 0.071(4) Uani 1 1 d RU . .
C13 C 0.7054(7) 0.2668(2) 0.5956(6) 0.108(5) Uani 1 1 d RU . .
H13A H 0.7741 0.2483 0.6368 0.129 Uiso 1 1 calc R . .
C14 C 0.6887(7) 0.2805(2) 0.4815(6) 0.148(9) Uani 1 1 d RU . .
H14A H 0.7461 0.2711 0.4463 0.178 Uiso 1 1 calc R . .
C15 C 0.5861(7) 0.3081(2) 0.4199(6) 0.158(10) Uani 1 1 d RU . .
H15A H 0.5749 0.3172 0.3436 0.190 Uiso 1 1 calc R . .
C16 C 0.5003(7) 0.3221(2) 0.4725(6) 0.130(7) Uani 1 1 d RU . .
H16A H 0.4317 0.3406 0.4313 0.156 Uiso 1 1 calc R . .
C17 C 0.5170(7) 0.3085(2) 0.5867(6) 0.076(4) Uani 1 1 d RU . .
C18 C 0.3192(17) 0.3176(10) 0.5705(14) 0.123(9) Uani 1 1 d . . .
H18A H 0.3026 0.3408 0.5023 0.148 Uiso 1 1 calc R . .
H18B H 0.3067 0.2785 0.5463 0.148 Uiso 1 1 calc R . .
C19 C 0.8863(13) 0.4971(7) 0.9360(12) 0.076(5) Uani 1 1 d . . .
H19A H 0.8690 0.5372 0.9271 0.091 Uiso 1 1 calc R . .
H19B H 0.9714 0.4926 0.9660 0.091 Uiso 1 1 calc R . .
C20 C 0.9142(11) 0.4706(5) 0.7582(13) 0.052(3) Uani 1 1 d . . .
C21 C 1.0262(12) 0.4962(5) 0.7851(14) 0.070(4) Uani 1 1 d . . .
H21A H 1.0586 0.5136 0.8554 0.084 Uiso 1 1 calc R . .
C22 C 1.0894(15) 0.4946(7) 0.7007(19) 0.084(5) Uani 1 1 d . . .
H22A H 1.1625 0.5125 0.7159 0.101 Uiso 1 1 calc R . .
C23 C 1.0466(19) 0.4689(8) 0.6043(17) 0.093(6) Uani 1 1 d . . .
H23A H 1.0923 0.4649 0.5544 0.112 Uiso 1 1 calc R . .
C24 C 0.9352(14) 0.4477(6) 0.5758(15) 0.073(4) Uani 1 1 d . . .
H24A H 0.9035 0.4331 0.5027 0.088 Uiso 1 1 calc R . .
C25 C 0.8685(12) 0.4467(5) 0.6471(12) 0.055(3) Uani 1 1 d . . .
C26 C 0.7494(11) 0.4238(5) 0.6175(11) 0.054(3) Uani 1 1 d . . .
H26A H 0.7317 0.4124 0.6869 0.064 Uiso 1 1 calc R . .
H26B H 0.7459 0.3903 0.5707 0.064 Uiso 1 1 calc R . .
C27 C 0.5197(10) 0.4669(6) 0.6017(12) 0.066(4) Uani 1 1 d . . .
H27A H 0.4480 0.4832 0.5516 0.080 Uiso 1 1 calc R . .
H27B H 0.5056 0.4269 0.6094 0.080 Uiso 1 1 calc R . .
C28 C 0.5460(10) 0.4945(5) 0.7177(11) 0.057(3) Uani 1 1 d . . .
H28A H 0.5509 0.5351 0.7096 0.068 Uiso 1 1 calc R . .
H28B H 0.6217 0.4813 0.7662 0.068 Uiso 1 1 calc R . .
C29 C 0.4621(13) 0.5234(6) 0.9071(12) 0.065(4) Uani 1 1 d . . .
H29A H 0.5156 0.5527 0.8971 0.078 Uiso 1 1 calc R . .
H29B H 0.3898 0.5416 0.9111 0.078 Uiso 1 1 calc R . .
C30 C 0.5193(12) 0.4923(5) 1.0217(12) 0.060(4) Uani 1 1 d . . .
C31 C 0.4577(16) 0.4802(7) 1.1002(16) 0.089(5) Uani 1 1 d . . .
H31A H 0.3781 0.4903 1.0786 0.107 Uiso 1 1 calc R . .
C32 C 0.4966(18) 0.4571(8) 1.1971(15) 0.093(5) Uani 1 1 d . . .
H32A H 0.4490 0.4524 1.2451 0.111 Uiso 1 1 calc R . .
C33 C 0.6135(18) 0.4392(7) 1.2286(13) 0.080(5) Uani 1 1 d . . .
H33A H 0.6426 0.4203 1.2978 0.096 Uiso 1 1 calc R . .
C34 C 0.6875(15) 0.4480(6) 1.1637(13) 0.078(4) Uani 1 1 d . . .
H34A H 0.7662 0.4366 1.1886 0.094 Uiso 1 1 calc R . .
C35 C 0.6398(14) 0.4758(6) 1.0537(11) 0.064(4) Uani 1 1 d . . .
C36 C 0.8297(10) 0.4733(6) 1.0149(12) 0.064(4) Uani 1 1 d . . .
H36A H 0.8677 0.4873 1.0914 0.077 Uiso 1 1 calc R . .
H36B H 0.8377 0.4325 1.0160 0.077 Uiso 1 1 calc R . .
C37 C 0.4634(14) 0.6163(8) 0.3840(14) 0.091(5) Uani 1 1 d U . .
H37A H 0.4163 0.5821 0.3710 0.109 Uiso 1 1 calc R . .
H37B H 0.4099 0.6478 0.3574 0.109 Uiso 1 1 calc R . .
C38 C 0.4489(11) 0.6339(7) 0.5733(14) 0.068(4) Uani 1 1 d . . .
C39 C 0.3369(14) 0.6133(7) 0.5525(18) 0.093(6) Uani 1 1 d . . .
H39A H 0.2989 0.5952 0.4843 0.112 Uiso 1 1 calc R . .
C40 C 0.2816(16) 0.6207(10) 0.638(3) 0.112(7) Uani 1 1 d . . .
H40A H 0.2065 0.6059 0.6285 0.135 Uiso 1 1 calc R . .
C41 C 0.332(2) 0.6471(11) 0.729(2) 0.115(8) Uani 1 1 d . . .
H41A H 0.2920 0.6528 0.7830 0.138 Uiso 1 1 calc R . .
C42 C 0.4457(16) 0.6678(7) 0.7479(15) 0.083(5) Uani 1 1 d . . .
H42A H 0.4813 0.6862 0.8164 0.100 Uiso 1 1 calc R . .
C43 C 0.5063(12) 0.6622(5) 0.6714(12) 0.054(3) Uani 1 1 d . . .
C44 C 0.6273(11) 0.6880(6) 0.6908(13) 0.065(4) Uani 1 1 d . . .
H44A H 0.6350 0.7208 0.7400 0.078 Uiso 1 1 calc R . .
H44B H 0.6369 0.7003 0.6184 0.078 Uiso 1 1 calc R . .
C45 C 0.8700(13) 0.6777(7) 0.7562(15) 0.078(5) Uani 1 1 d . . .
H45A H 0.8454 0.7104 0.7073 0.094 Uiso 1 1 calc R . .
H45B H 0.9065 0.6913 0.8332 0.094 Uiso 1 1 calc R . .
C46 C 0.9576(12) 0.6473(6) 0.7188(13) 0.066(4) Uani 1 1 d . . .
H46A H 0.9878 0.6174 0.7738 0.079 Uiso 1 1 calc R . .
H46B H 1.0228 0.6730 0.7238 0.079 Uiso 1 1 calc R . .
C47 C 0.8569(7) 0.6776(3) 0.4934(7) 0.078(5) Uani 1 1 d . . .
H47A H 0.7811 0.6876 0.5037 0.094 Uiso 1 1 calc R . .
H47B H 0.9102 0.7095 0.5150 0.094 Uiso 1 1 calc R . .
C48 C 0.8420(7) 0.6590(3) 0.3625(7) 0.073(4) Uani 1 1 d RU . .
C49 C 0.9316(7) 0.6716(3) 0.3138(7) 0.133(7) Uani 1 1 d RU . .
H49A H 0.9997 0.6899 0.3567 0.159 Uiso 1 1 calc R . .
C50 C 0.9194(7) 0.6569(3) 0.2009(7) 0.195(12) Uani 1 1 d RU . .
H50A H 0.9794 0.6653 0.1683 0.235 Uiso 1 1 calc R . .
C51 C 0.8176(7) 0.6296(3) 0.1367(7) 0.186(11) Uani 1 1 d RU . .
H51A H 0.8094 0.6197 0.0612 0.223 Uiso 1 1 calc R . .
C52 C 0.7280(7) 0.6169(3) 0.1854(7) 0.150(8) Uani 1 1 d RU . .
H52A H 0.6598 0.5987 0.1425 0.180 Uiso 1 1 calc R . .
C53 C 0.7402(7) 0.6316(3) 0.2983(7) 0.087(5) Uani 1 1 d RU . .
C54 C 0.5408(17) 0.6140(13) 0.3204(16) 0.149(11) Uani 1 1 d U . .
H54A H 0.5344 0.5765 0.2871 0.179 Uiso 1 1 calc R . .
H54B H 0.5126 0.6403 0.2575 0.179 Uiso 1 1 calc R . .
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'
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'
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
S4 Ag1 S1 145.68(13) . . ?
S4 Ag1 S2 121.43(12) . . ?
S1 Ag1 S2 86.63(12) . . ?
S3 Ag2 S6 136.90(13) . . ?
S3 Ag2 S5 133.39(12) . . ?
S6 Ag2 S5 85.76(13) . . ?
F4 P1 F5 89.3(10) . . ?
F4 P1 F2 91.0(10) . . ?
F5 P1 F2 178.9(7) . . ?
F4 P1 F1 178.4(9) . . ?
F5 P1 F1 89.5(9) . . ?
F2 P1 F1 90.2(9) . . ?
F4 P1 F6 88.1(7) . . ?
F5 P1 F6 88.8(6) . . ?
F2 P1 F6 90.2(6) . . ?
F1 P1 F6 93.0(8) . . ?
F4 P1 F3 90.4(7) . . ?
F5 P1 F3 92.0(6) . . ?
F2 P1 F3 89.0(6) . . ?
F1 P1 F3 88.5(8) . . ?
F6 P1 F3 178.3(7) . . ?
F8 P2 F9 89.8(11) . . ?
F8 P2 F7 95.8(11) . . ?
F9 P2 F7 91.7(10) . . ?
F8 P2 F11 167.6(12) . . ?
F9 P2 F11 99.9(10) . . ?
F7 P2 F11 91.7(9) . . ?
F8 P2 F12 92.5(11) . . ?
F9 P2 F12 176.6(10) . . ?
F7 P2 F12 90.6(10) . . ?
F11 P2 F12 77.5(9) . . ?
F8 P2 F10 88.6(10) . . ?
F9 P2 F10 89.2(7) . . ?
F7 P2 F10 175.5(9) . . ?
F11 P2 F10 83.9(8) . . ?
F12 P2 F10 88.4(8) . . ?
C8 S1 C9 101.3(7) . . ?
C8 S1 Ag1 104.9(5) . . ?
C9 S1 Ag1 99.3(5) . . ?
C10 S2 C11 101.5(6) . . ?
C10 S2 Ag1 98.0(6) . . ?
C11 S2 Ag1 105.0(3) . . ?
C27 S3 C26 103.9(6) . . ?
C27 S3 Ag2 109.9(5) . . ?
C26 S3 Ag2 103.0(4) . . ?
C29 S4 C28 102.6(7) . . ?
C29 S4 Ag1 106.2(5) . . ?
C28 S4 Ag1 103.9(4) . . ?
C44 S5 C45 100.0(7) . . ?
C44 S5 Ag2 103.5(5) . . ?
C45 S5 Ag2 100.5(5) . . ?
C47 S6 C46 98.7(6) . . ?
C47 S6 Ag2 101.3(3) . . ?
C46 S6 Ag2 96.0(5) . . ?
C1 O1 C2 129.0(10) . . ?
C17 O2 C18 118.9(11) . . ?
C20 O3 C19 119.1(10) . . ?
C35 O4 C36 117.8(10) . . ?
C38 O5 C37 120.9(12) . . ?
C54 O6 C53 124.4(13) . . ?
C18 C1 O1 117.2(12) . . ?
C3 C2 C7 120.0 . . ?
C3 C2 O1 119.9(6) . . ?
C7 C2 O1 119.6(6) . . ?
C2 C3 C4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C7 C6 C5 120.0 . . ?
C6 C7 C2 120.0 . . ?
C6 C7 C8 123.8(7) . . ?
C2 C7 C8 116.2(7) . . ?
C7 C8 S1 111.5(10) . . ?
C10 C9 S1 118.2(12) . . ?
C9 C10 S2 114.6(11) . . ?
C12 C11 S2 108.7(3) . . ?
C13 C12 C17 120.0 . . ?
C13 C12 C11 125.6 . . ?
C17 C12 C11 114.4 . . ?
C12 C13 C14 120.0 . . ?
C15 C14 C13 120.0 . . ?
C16 C15 C14 120.0 . . ?
C15 C16 C17 120.0 . . ?
O2 C17 C16 116.6(6) . . ?
O2 C17 C12 123.3(6) . . ?
C16 C17 C12 120.0 . . ?
C1 C18 O2 113.5(13) . . ?
O3 C19 C36 110.4(12) . . ?
O3 C20 C21 123.9(13) . . ?
O3 C20 C25 118.3(12) . . ?
C21 C20 C25 117.6(13) . . ?
C20 C21 C22 118.1(15) . . ?
C23 C22 C21 121.3(17) . . ?
C22 C23 C24 120.1(19) . . ?
C25 C24 C23 123.5(17) . . ?
C24 C25 C20 119.0(14) . . ?
C24 C25 C26 123.8(14) . . ?
C20 C25 C26 117.2(13) . . ?
C25 C26 S3 112.9(9) . . ?
C28 C27 S3 113.0(8) . . ?
C27 C28 S4 110.1(8) . . ?
C30 C29 S4 113.4(9) . . ?
C31 C30 C35 116.0(14) . . ?
C31 C30 C29 122.8(13) . . ?
C35 C30 C29 121.2(13) . . ?
C32 C31 C30 127.9(17) . . ?
C31 C32 C33 117.0(18) . . ?
C34 C33 C32 123.3(16) . . ?
C33 C34 C35 117.9(15) . . ?
O4 C35 C30 117.7(12) . . ?
O4 C35 C34 124.4(14) . . ?
C30 C35 C34 117.9(14) . . ?
C19 C36 O4 109.7(12) . . ?
C54 C37 O5 114.7(14) . . ?
C39 C38 C43 123.0(16) . . ?
C39 C38 O5 121.2(16) . . ?
C43 C38 O5 115.5(12) . . ?
C38 C39 C40 117.1(18) . . ?
C41 C40 C39 121(2) . . ?
C40 C41 C42 121(2) . . ?
C43 C42 C41 122.3(17) . . ?
C42 C43 C38 115.6(14) . . ?
C42 C43 C44 121.6(14) . . ?
C38 C43 C44 122.7(14) . . ?
C43 C44 S5 110.4(9) . . ?
C46 C45 S5 115.2(11) . . ?
C45 C46 S6 120.0(10) . . ?
C48 C47 S6 104.4(3) . . ?
C49 C48 C53 120.0 . . ?
C49 C48 C47 119.2 . . ?
C53 C48 C47 120.8 . . ?
C48 C49 C50 120.0 . . ?
C49 C50 C51 120.0 . . ?
C52 C51 C50 120.0 . . ?
C51 C52 C53 120.0 . . ?
C48 C53 C52 120.0 . . ?
C48 C53 O6 111.5(6) . . ?
C52 C53 O6 128.4(6) . . ?
O6 C54 C37 121.1(16) . . ?
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 S4 2.457(4) . ?
Ag1 S1 2.540(4) . ?
Ag1 S2 2.590(4) . ?
Ag2 S3 2.461(3) . ?
Ag2 S6 2.532(4) . ?
Ag2 S5 2.588(4) . ?
P1 F4 1.539(12) . ?
P1 F5 1.545(11) . ?
P1 F2 1.547(11) . ?
P1 F1 1.555(15) . ?
P1 F6 1.565(9) . ?
P1 F3 1.570(9) . ?
P2 F8 1.458(14) . ?
P2 F9 1.487(11) . ?
P2 F7 1.537(15) . ?
P2 F11 1.580(16) . ?
P2 F12 1.616(12) . ?
P2 F10 1.621(11) . ?
S1 C8 1.842(14) . ?
S1 C9 1.877(15) . ?
S2 C10 1.789(16) . ?
S2 C11 1.854(7) . ?
S3 C27 1.762(13) . ?
S3 C26 1.861(13) . ?
S4 C29 1.803(14) . ?
S4 C28 1.857(12) . ?
S5 C44 1.794(14) . ?
S5 C45 1.801(14) . ?
S6 C47 1.819(8) . ?
S6 C46 1.820(15) . ?
O1 C1 1.359(13) . ?
O1 C2 1.407(14) . ?
O2 C17 1.311(12) . ?
O2 C18 1.357(19) . ?
O3 C20 1.339(15) . ?
O3 C19 1.418(16) . ?
O4 C35 1.369(16) . ?
O4 C36 1.463(14) . ?
O5 C38 1.377(18) . ?
O5 C37 1.390(19) . ?
O6 C54 1.29(2) . ?
O6 C53 1.511(14) . ?
C1 C18 1.337(19) . ?
C2 C3 1.3900 . ?
C2 C7 1.3901 . ?
C3 C4 1.3900 . ?
C4 C5 1.3900 . ?
C5 C6 1.3900 . ?
C6 C7 1.3899 . ?
C7 C8 1.524(16) . ?
C9 C10 1.53(2) . ?
C11 C12 1.4845 . ?
C12 C13 1.3899 . ?
C12 C17 1.3901 . ?
C13 C14 1.3900 . ?
C14 C15 1.3900 . ?
C15 C16 1.3900 . ?
C16 C17 1.3901 . ?
C19 C36 1.441(19) . ?
C20 C21 1.404(18) . ?
C20 C25 1.425(18) . ?
C21 C22 1.44(2) . ?
C22 C23 1.29(2) . ?
C23 C24 1.36(2) . ?
C24 C25 1.335(19) . ?
C25 C26 1.452(18) . ?
C27 C28 1.510(18) . ?
C29 C30 1.553(19) . ?
C30 C31 1.39(2) . ?
C30 C35 1.417(19) . ?
C31 C32 1.26(2) . ?
C32 C33 1.39(2) . ?
C33 C34 1.36(2) . ?
C34 C35 1.456(19) . ?
C37 C54 1.36(2) . ?
C38 C39 1.36(2) . ?
C38 C43 1.369(19) . ?
C39 C40 1.40(3) . ?
C40 C41 1.26(3) . ?
C41 C42 1.39(3) . ?
C42 C43 1.34(2) . ?
C43 C44 1.509(18) . ?
C45 C46 1.440(19) . ?
C47 C48 1.6207 . ?
C48 C49 1.3900 . ?
C48 C53 1.3900 . ?
C49 C50 1.3900 . ?
C50 C51 1.3901 . ?
C51 C52 1.3899 . ?
C52 C53 1.3901 . ?
