#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:59:02 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180021 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/15/7031567.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_7031567
loop_
_publ_author_name
'Liao, Jian-Hong'
'Chang, Hao-Wei'
'Li, Yi-Juan'
'Fang, Ching-Shiang'
'Sarkar, Bijay'
'van Zyl, Werner E.'
'Liu, C. W.'
_publ_section_title
;
 Anion templating from a silver(i) dithiophosphate 1D polymer forming
 discrete cationic and neutral octa- and decanuclear silver(i) clusters.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12380
_journal_page_last               12389
_journal_paper_doi               10.1039/c4dt00691g
_journal_volume                  43
_journal_year                    2014
_chemical_formula_sum            'C36 H84 Ag8 Br F6 O12 P7 S12'
_chemical_formula_weight         2367.41
_chemical_name_systematic
; 
 ? 
;
_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                117.176(3)
_cell_angle_beta                 99.416(5)
_cell_angle_gamma                95.281(5)
_cell_formula_units_Z            1
_cell_length_a                   12.870(4)
_cell_length_b                   13.066(2)
_cell_length_c                   13.778(2)
_cell_measurement_reflns_used    8011
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.39
_cell_measurement_theta_min      2.38
_cell_volume                     1996.3(8)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and 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  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0570
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11357
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    2.930
_exptl_absorpt_correction_T_max  0.4942
_exptl_absorpt_correction_T_min  0.4540
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.969
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1158
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_refine_diff_density_max         1.457
_refine_diff_density_min         -1.659
_refine_diff_density_rms         0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         6896
_refine_ls_number_restraints     22
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0631
_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)+(0.1254P)²+5.5472P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1886
_refine_ls_wR_factor_ref         0.1981
_reflns_number_gt                5864
_reflns_number_total             6896
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt00691g2.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 7031565--7031570.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7031567
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 0.41536(6) 1.03839(5) 0.69269(5) 0.0617(2) Uani 1 1 d . . .
Ag2 Ag 0.50061(5) 0.78992(5) 0.52841(5) 0.0585(2) Uani 1 1 d . C .
Ag3 Ag 0.71870(5) 0.96020(6) 0.53416(6) 0.0639(2) Uani 1 1 d . . .
Ag4 Ag 0.36191(5) 0.79624(5) 0.29601(6) 0.0623(2) Uani 1 1 d . . .
Br1 Br 0.5000 1.0000 0.5000 0.0477(3) Uani 1 2 d S . .
C1 C 0.1422(8) 0.5385(8) 0.3077(9) 0.083(3) Uani 1 1 d U . .
H1 H 0.1410 0.5857 0.2692 0.100 Uiso 1 1 calc R A 1
C2 C 0.197(3) 0.456(3) 0.246(3) 0.128(18) Uani 0.50 1 d PU B 1
H2A H 0.2147 0.4097 0.2816 0.192 Uiso 0.50 1 calc PR B 1
H2B H 0.2615 0.4943 0.2408 0.192 Uiso 0.50 1 calc PR B 1
H2C H 0.1527 0.4061 0.1719 0.192 Uiso 0.50 1 calc PR B 1
C3 C 0.036(2) 0.514(3) 0.302(4) 0.17(2) Uani 0.50 1 d PU B 1
H3A H 0.0064 0.4346 0.2449 0.253 Uiso 0.50 1 calc PR B 1
H3B H -0.0003 0.5662 0.2825 0.253 Uiso 0.50 1 calc PR B 1
H3C H 0.0252 0.5247 0.3727 0.253 Uiso 0.50 1 calc PR B 1
C2' C 0.211(4) 0.436(4) 0.247(4) 0.16(3) Uani 0.50 1 d P B 2
H2D H 0.1634 0.3677 0.1865 0.237 Uiso 0.50 1 calc PR B 2
H2E H 0.2470 0.4159 0.3012 0.237 Uiso 0.50 1 calc PR B 2
H2F H 0.2635 0.4646 0.2186 0.237 Uiso 0.50 1 calc PR B 2
C3' C 0.071(2) 0.462(3) 0.350(2) 0.108(10) Uani 0.50 1 d P B 2
H3D H -0.0024 0.4717 0.3384 0.162 Uiso 0.50 1 calc PR B 2
H3E H 0.0993 0.4891 0.4283 0.162 Uiso 0.50 1 calc PR B 2
H3F H 0.0741 0.3806 0.3079 0.162 Uiso 0.50 1 calc PR B 2
C4 C 0.083(3) 0.855(4) 0.599(4) 0.100(12) Uani 0.50 1 d PU C 1
H4 H 0.1098 0.9160 0.5812 0.120 Uiso 0.50 1 calc PR C 1
C5 C -0.048(4) 0.822(8) 0.547(4) 0.28(4) Uani 0.50 1 d PU C 1
H5A H -0.0729 0.7401 0.5213 0.419 Uiso 0.50 1 calc PR C 1
H5B H -0.0645 0.8385 0.4862 0.419 Uiso 0.50 1 calc PR C 1
H5C H -0.0831 0.8676 0.6050 0.419 Uiso 0.50 1 calc PR C 1
C6 C 0.108(3) 0.906(7) 0.711(4) 0.28(4) Uani 0.50 1 d PU C 1
H6A H 0.0474 0.8867 0.7364 0.419 Uiso 0.50 1 calc PR C 1
H6B H 0.1268 0.9890 0.7425 0.419 Uiso 0.50 1 calc PR C 1
H6C H 0.1676 0.8768 0.7350 0.419 Uiso 0.50 1 calc PR C 1
C4' C 0.064(3) 0.864(4) 0.587(4) 0.098(9) Uani 0.50 1 d PU C 2
H4' H 0.1181 0.9342 0.6113 0.118 Uiso 0.50 1 calc PR C 2
C5' C -0.024(4) 0.869(5) 0.528(4) 0.150(12) Uani 0.50 1 d PU C 2
H5D H -0.0842 0.8528 0.5551 0.225 Uiso 0.50 1 calc PR C 2
H5E H -0.0334 0.8125 0.4506 0.225 Uiso 0.50 1 calc PR C 2
H5F H -0.0193 0.9462 0.5351 0.225 Uiso 0.50 1 calc PR C 2
C6' C 0.049(3) 0.850(4) 0.693(4) 0.150(12) Uani 0.50 1 d PU C 2
H6D H 0.1144 0.8862 0.7507 0.225 Uiso 0.50 1 calc PR C 2
H6E H 0.0332 0.7680 0.6715 0.225 Uiso 0.50 1 calc PR C 2
H6F H -0.0085 0.8865 0.7209 0.225 Uiso 0.50 1 calc PR C 2
C7 C 0.6724(7) 0.5099(7) 0.3507(8) 0.065(2) Uani 1 1 d . . .
H7 H 0.6133 0.4613 0.2851 0.078 Uiso 1 1 calc R . .
C8 C 0.7688(11) 0.4589(11) 0.3329(14) 0.111(4) Uani 1 1 d . . .
H8A H 0.8133 0.4992 0.3067 0.167 Uiso 1 1 calc R . .
H8B H 0.7484 0.3774 0.2781 0.167 Uiso 1 1 calc R . .
H8C H 0.8078 0.4667 0.4023 0.167 Uiso 1 1 calc R . .
C9 C 0.6378(12) 0.5228(12) 0.4541(13) 0.110(4) Uani 1 1 d . . .
H9A H 0.6094 0.4469 0.4434 0.164 Uiso 1 1 calc R . .
H9B H 0.5836 0.5702 0.4679 0.164 Uiso 1 1 calc R . .
H9C H 0.6984 0.5596 0.5171 0.164 Uiso 1 1 calc R . .
C10 C 0.6891(8) 0.5616(8) 0.1033(8) 0.076(3) Uani 1 1 d . . .
H10 H 0.7592 0.5917 0.1563 0.091 Uiso 1 1 calc R . .
C11 C 0.6765(16) 0.6207(14) 0.0302(11) 0.133(6) Uani 1 1 d . . .
H11A H 0.6125 0.5811 -0.0284 0.199 Uiso 1 1 calc R . .
H11B H 0.7375 0.6172 -0.0023 0.199 Uiso 1 1 calc R . .
H11C H 0.6717 0.7011 0.0753 0.199 Uiso 1 1 calc R . .
C12 C 0.6697(12) 0.4276(10) 0.0302(11) 0.110(4) Uani 1 1 d . . .
H12A H 0.6919 0.3928 0.0764 0.165 Uiso 1 1 calc R . .
H12B H 0.7103 0.4081 -0.0263 0.165 Uiso 1 1 calc R . .
H12C H 0.5948 0.3983 -0.0050 0.165 Uiso 1 1 calc R . .
C13 C 0.657(2) 0.8403(16) 0.889(2) 0.232(12) Uani 1 1 d DU . .
H13 H 0.7184 0.8081 0.8605 0.278 Uiso 1 1 calc R . .
C14 C 0.552(3) 0.752(3) 0.848(2) 0.316(17) Uani 1 1 d DU . .
H14A H 0.5095 0.7804 0.9029 0.474 Uiso 1 1 calc R . .
H14B H 0.5679 0.6780 0.8388 0.474 Uiso 1 1 calc R . .
H14C H 0.5135 0.7425 0.7782 0.474 Uiso 1 1 calc R . .
C15 C 0.675(3) 0.909(3) 1.0186(19) 0.316(17) Uani 1 1 d DU . .
H15A H 0.7468 0.9095 1.0527 0.474 Uiso 1 1 calc R . .
H15B H 0.6245 0.8724 1.0422 0.474 Uiso 1 1 calc R . .
H15C H 0.6661 0.9884 1.0411 0.474 Uiso 1 1 calc R . .
C16 C 0.856(4) 1.138(3) 0.918(3) 0.096(10) Uani 0.50 1 d PDU D 1
H16 H 0.8151 1.1912 0.9034 0.115 Uiso 0.50 1 calc PR D 1
C17 C 0.960(3) 1.147(6) 0.879(3) 0.194(19) Uani 0.50 1 d PU D 1
H17A H 1.0208 1.1645 0.9387 0.291 Uiso 0.50 1 calc PR D 1
H17B H 0.9643 1.2077 0.8583 0.291 Uiso 0.50 1 calc PR D 1
H17C H 0.9610 1.0735 0.8152 0.291 Uiso 0.50 1 calc PR D 1
C18 C 0.898(3) 1.197(6) 1.046(3) 0.194(19) Uani 0.50 1 d PDU D 1
H18A H 0.8478 1.1699 1.0777 0.291 Uiso 0.50 1 calc PR D 1
H18B H 0.9056 1.2803 1.0767 0.291 Uiso 0.50 1 calc PR D 1
H18C H 0.9660 1.1774 1.0629 0.291 Uiso 0.50 1 calc PR D 1
C16' C 0.868(4) 1.172(3) 0.934(4) 0.107(9) Uani 0.50 1 d PU E 2
H16' H 0.8520 1.2288 0.9089 0.129 Uiso 0.50 1 calc PR E 2
C17' C 0.982(3) 1.158(5) 0.939(3) 0.21(2) Uani 0.50 1 d PU E 2
H17D H 1.0267 1.2195 1.0082 0.318 Uiso 0.50 1 calc PR E 2
H17E H 1.0039 1.1607 0.8771 0.318 Uiso 0.50 1 calc PR E 2
H17F H 0.9887 1.0834 0.9353 0.318 Uiso 0.50 1 calc PR E 2
C18' C 0.853(3) 1.207(5) 1.043(3) 0.21(2) Uani 0.50 1 d PU E 2
H18D H 0.8387 1.1396 1.0533 0.318 Uiso 0.50 1 calc PR E 2
H18E H 0.7925 1.2465 1.0532 0.318 Uiso 0.50 1 calc PR E 2
H18F H 0.9157 1.2598 1.0979 0.318 Uiso 0.50 1 calc PR E 2
O1 O 0.2167(4) 0.6231(4) 0.4162(5) 0.0600(13) Uani 1 1 d . B .
O2 O 0.1094(5) 0.7578(5) 0.5273(5) 0.0691(15) Uani 1 1 d U . .
O3 O 0.6974(4) 0.6278(4) 0.3598(5) 0.0577(13) Uani 1 1 d . . .
O4 O 0.6005(5) 0.5832(5) 0.1624(5) 0.0631(14) Uani 1 1 d . . .
O5 O 0.7774(14) 1.0408(15) 0.8979(15) 0.086(5) Uani 0.50 1 d PD D 1
O5' O 0.8172(13) 1.0457(16) 0.8447(18) 0.105(7) Uani 0.50 1 d P E 2
O6 O 0.6262(16) 0.9283(9) 0.8642(9) 0.184(7) Uani 1 1 d DU D .
P1 P 0.21453(14) 0.75726(15) 0.48305(16) 0.0468(4) Uani 1 1 d . B .
P2 P 0.61945(15) 0.67121(14) 0.29144(15) 0.0451(4) Uani 1 1 d . C .
P3 P 0.6808(2) 0.98977(18) 0.80551(19) 0.0736(7) Uani 1 1 d . . .
P4 P 0.0000 0.5000 0.0000 0.90(7) Uiso 1 2 d SD . .
F1 F 0.103(2) 0.593(3) 0.080(3) 0.494(15) Uiso 1 1 d D . .
F2 F -0.048(4) 0.512(4) 0.112(4) 0.494(15) Uiso 1 1 d . . .
F3 F 0.073(3) 0.412(3) 0.004(4) 0.494(15) Uiso 1 1 d D . .
S1 S 0.34085(14) 0.82121(14) 0.61551(15) 0.0483(4) Uani 1 1 d . . .
S2 S 0.19807(15) 0.82437(16) 0.37662(17) 0.0546(4) Uani 1 1 d . . .
S3 S 0.70469(16) 0.82743(15) 0.32839(18) 0.0552(5) Uani 1 1 d . . .
S4 S 0.47205(15) 0.65469(14) 0.31962(16) 0.0510(4) Uani 1 1 d . . .
S5 S 0.40153(19) 0.88036(17) 0.17168(16) 0.0609(5) Uani 1 1 d . . .
S6 S 0.68778(17) 0.86490(18) 0.65326(19) 0.0605(5) Uani 1 1 d . C .
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'
Br Br -0.2901 2.4595 '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
S3 Ag1 S5 121.23(7) 2_676 2_676
S3 Ag1 S1 120.56(7) 2_676 .
S5 Ag1 S1 116.66(7) 2_676 .
S3 Ag1 Br1 94.72(5) 2_676 .
S5 Ag1 Br1 94.06(6) 2_676 .
S1 Ag1 Br1 93.65(5) . .
S3 Ag1 Ag3 48.81(5) 2_676 2_676
S5 Ag1 Ag3 140.23(6) 2_676 2_676
S1 Ag1 Ag3 92.40(5) . 2_676
Br1 Ag1 Ag3 55.39(2) . 2_676
S3 Ag1 Ag4 93.41(5) 2_676 2_676
S5 Ag1 Ag4 47.87(5) 2_676 2_676
S1 Ag1 Ag4 137.53(5) . 2_676
Br1 Ag1 Ag4 56.077(18) . 2_676
Ag3 Ag1 Ag4 92.36(3) 2_676 2_676
S1 Ag2 S6 119.59(7) . .
S1 Ag2 S4 119.34(6) . .
S6 Ag2 S4 120.24(7) . .
S1 Ag2 Br1 92.88(4) . .
S6 Ag2 Br1 93.36(5) . .
S4 Ag2 Br1 92.81(5) . .
S3 Ag3 S6 117.59(7) . .
S3 Ag3 S2 119.92(7) . 2_676
S6 Ag3 S2 121.03(7) . 2_676
S3 Ag3 Br1 94.06(5) . .
S6 Ag3 Br1 94.17(5) . .
S2 Ag3 Br1 93.81(5) 2_676 .
S3 Ag3 Ag1 48.80(5) . 2_676
S6 Ag3 Ag1 137.51(6) . 2_676
S2 Ag3 Ag1 91.98(5) 2_676 2_676
Br1 Ag3 Ag1 54.635(17) . 2_676
S3 Ag3 Ag4 140.30(5) . 2_676
S6 Ag3 Ag4 92.26(5) . 2_676
S2 Ag3 Ag4 48.18(5) 2_676 2_676
Br1 Ag3 Ag4 55.951(17) . 2_676
Ag1 Ag3 Ag4 91.57(2) 2_676 2_676
S5 Ag4 S2 121.77(7) . .
S5 Ag4 S4 119.83(7) . .
S2 Ag4 S4 117.79(7) . .
S5 Ag4 Br1 92.71(5) . .
S2 Ag4 Br1 92.81(5) . .
S4 Ag4 Br1 92.31(5) . .
S5 Ag4 Ag3 91.74(5) . 2_676
S2 Ag4 Ag3 48.60(5) . 2_676
S4 Ag4 Ag3 136.49(5) . 2_676
Br1 Ag4 Ag3 54.37(2) . 2_676
S5 Ag4 Ag1 48.64(5) . 2_676
S2 Ag4 Ag1 138.45(5) . 2_676
S4 Ag4 Ag1 90.37(5) . 2_676
Br1 Ag4 Ag1 53.755(18) . 2_676
Ag3 Ag4 Ag1 89.87(3) 2_676 2_676
Ag1 Br1 Ag1 180.0 . 2_676
Ag1 Br1 Ag3 69.97(2) . 2_676
Ag1 Br1 Ag3 110.03(2) 2_676 2_676
Ag1 Br1 Ag3 110.03(2) . .
Ag1 Br1 Ag3 69.97(2) 2_676 .
Ag3 Br1 Ag3 180.0 2_676 .
Ag1 Br1 Ag2 108.420(18) . 2_676
Ag1 Br1 Ag2 71.581(18) 2_676 2_676
Ag3 Br1 Ag2 70.602(19) 2_676 2_676
Ag3 Br1 Ag2 109.398(19) . 2_676
Ag1 Br1 Ag2 71.580(18) . .
Ag1 Br1 Ag2 108.419(18) 2_676 .
Ag3 Br1 Ag2 109.398(19) 2_676 .
Ag3 Br1 Ag2 70.602(19) . .
Ag2 Br1 Ag2 180.0 2_676 .
Ag1 Br1 Ag4 70.17(2) . 2_676
Ag1 Br1 Ag4 109.83(2) 2_676 2_676
Ag3 Br1 Ag4 110.32(2) 2_676 2_676
Ag3 Br1 Ag4 69.68(2) . 2_676
Ag2 Br1 Ag4 71.20(2) 2_676 2_676
Ag2 Br1 Ag4 108.80(2) . 2_676
Ag1 Br1 Ag4 109.83(2) . .
Ag1 Br1 Ag4 70.17(2) 2_676 .
Ag3 Br1 Ag4 69.68(2) 2_676 .
Ag3 Br1 Ag4 110.32(2) . .
Ag2 Br1 Ag4 108.80(2) 2_676 .
Ag2 Br1 Ag4 71.20(2) . .
Ag4 Br1 Ag4 180.0 2_676 .
C3 C1 C2 122.9(19) . .
C3 C1 O1 120.3(18) . .
C2 C1 O1 108.3(13) . .
C3 C1 C3' 47(2) . .
C2 C1 C3' 100(3) . .
O1 C1 C3' 99.7(11) . .
C3 C1 C2' 123(2) . .
C2 C1 C2' 7(3) . .
O1 C1 C2' 104(2) . .
C3' C1 C2' 94.8(19) . .
O2 C4 C6 127(5) . .
O2 C4 C5 99(4) . .
C6 C4 C5 112(4) . .
C5' C4' O2 114(4) . .
C5' C4' C6' 115(3) . .
O2 C4' C6' 99(3) . .
C8 C7 O3 106.4(8) . .
C8 C7 C9 114.6(9) . .
O3 C7 C9 108.9(8) . .
O4 C10 C11 106.9(9) . .
O4 C10 C12 104.8(8) . .
C11 C10 C12 110.6(10) . .
O6 C13 C14 103.1(19) . .
O6 C13 C15 98.6(16) . .
C14 C13 C15 105(2) . .
O5 C16 C18 102(3) . .
O5 C16 C17 133(4) . .
C18 C16 C17 102(3) . .
C18' C16' C17' 106(3) . .
C18' C16' O5' 117(4) . .
C17' C16' O5' 97(3) . .
C1 O1 P1 125.0(6) . .
C4 O2 C4' 12(4) . .
C4 O2 P1 123(2) . .
C4' O2 P1 124.5(17) . .
C7 O3 P2 122.4(5) . .
C10 O4 P2 122.4(6) . .
C16 O5 P3 123(2) . .
C16' O5' P3 124(2) . .
C13 O6 P3 129.4(16) . .
O1 P1 O2 102.8(3) . .
O1 P1 S1 104.5(2) . .
O2 P1 S1 107.9(3) . .
O1 P1 S2 109.5(2) . .
O2 P1 S2 109.1(3) . .
S1 P1 S2 121.45(11) . .
O4 P2 O3 109.0(3) . .
O4 P2 S4 102.6(2) . .
O3 P2 S4 109.7(2) . .
O4 P2 S3 110.1(2) . .
O3 P2 S3 102.8(2) . .
S4 P2 S3 122.29(11) . .
O5 P3 O6 91.0(10) . .
O5 P3 O5' 34.5(9) . .
O6 P3 O5' 122.2(11) . .
O5 P3 S6 119.9(8) . .
O6 P3 S6 107.9(4) . .
O5' P3 S6 93.5(6) . .
O5 P3 S5 106.5(7) . 2_676
O6 P3 S5 102.2(6) . 2_676
O5' P3 S5 109.6(6) . 2_676
S6 P3 S5 123.03(13) . 2_676
F3 P4 F3 179.999(3) 2_565 .
F3 P4 F1 82.9(19) 2_565 2_565
F3 P4 F1 97.1(19) . 2_565
F3 P4 F1 97.1(19) 2_565 .
F3 P4 F1 82.9(19) . .
F1 P4 F1 179.998(4) 2_565 .
F3 P4 F2 86(2) 2_565 .
F3 P4 F2 94(2) . .
F1 P4 F2 88.7(18) 2_565 .
F1 P4 F2 91.3(18) . .
F3 P4 F2 94(2) 2_565 2_565
F3 P4 F2 86(2) . 2_565
F1 P4 F2 91.3(18) 2_565 2_565
F1 P4 F2 88.7(18) . 2_565
F2 P4 F2 179.999(5) . 2_565
P1 S1 Ag2 103.89(9) . .
P1 S1 Ag1 113.29(9) . .
Ag2 S1 Ag1 84.48(6) . .
P1 S2 Ag4 105.38(9) . .
P1 S2 Ag3 114.21(10) . 2_676
Ag4 S2 Ag3 83.23(6) . 2_676
P2 S3 Ag1 111.79(10) . 2_676
P2 S3 Ag3 105.97(10) . .
Ag1 S3 Ag3 82.39(6) 2_676 .
P2 S4 Ag4 114.20(9) . .
P2 S4 Ag2 103.56(9) . .
Ag4 S4 Ag2 85.55(6) . .
P3 S5 Ag4 109.17(13) 2_676 .
P3 S5 Ag1 110.25(10) 2_676 2_676
Ag4 S5 Ag1 83.48(7) . 2_676
P3 S6 Ag3 108.69(11) . .
P3 S6 Ag2 108.56(12) . .
Ag3 S6 Ag2 84.02(7) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 S3 2.522(2) 2_676
Ag1 S5 2.541(2) 2_676
Ag1 S1 2.5517(18) .
Ag1 Br1 2.8840(8) .
Ag1 Ag3 3.3227(10) 2_676
Ag1 Ag4 3.3640(12) 2_676
Ag2 S1 2.520(2) .
Ag2 S6 2.528(2) .
Ag2 S4 2.535(2) .
Ag2 Br1 2.9448(7) .
Ag3 S3 2.522(2) .
Ag3 S6 2.528(2) .
Ag3 S2 2.537(2) 2_676
Ag3 Br1 2.9110(11) .
Ag3 Ag1 3.3227(10) 2_676
Ag3 Ag4 3.3584(9) 2_676
Ag4 S5 2.511(2) .
Ag4 S2 2.520(2) .
Ag4 S4 2.5332(19) .
Ag4 Br1 2.9674(8) .
Ag4 Ag3 3.3583(9) 2_676
Ag4 Ag1 3.3639(12) 2_676
Br1 Ag1 2.8841(8) 2_676
Br1 Ag3 2.9109(11) 2_676
Br1 Ag2 2.9448(8) 2_676
Br1 Ag4 2.9673(8) 2_676
C1 C3 1.36(3) .
C1 C2 1.37(4) .
C1 O1 1.485(10) .
C1 C3' 1.65(3) .
C1 C2' 1.65(5) .
C4 O2 1.33(4) .
C4 C6 1.34(7) .
C4 C5 1.65(6) .
C4' C5' 1.31(7) .
C4' O2 1.49(4) .
C4' C6' 1.60(7) .
C7 C8 1.465(13) .
C7 O3 1.487(9) .
C7 C9 1.502(15) .
C10 O4 1.482(10) .
C10 C11 1.522(17) .
C10 C12 1.539(13) .
C13 O6 1.413(9) .
C13 C14 1.532(10) .
C13 C15 1.552(10) .
C16 O5 1.432(10) .
C16 C18 1.539(10) .
C16 C17 1.54(6) .
C16' C18' 1.41(7) .
C16' C17' 1.48(7) .
C16' O5' 1.54(3) .
O1 P1 1.570(5) .
O2 P1 1.572(6) .
O3 P2 1.581(5) .
O4 P2 1.576(5) .
O5 P3 1.471(15) .
O5' P3 1.732(18) .
O6 P3 1.572(12) .
P1 S1 2.014(3) .
P1 S2 2.018(3) .
P2 S4 2.010(3) .
P2 S3 2.021(3) .
P3 S6 2.008(3) .
P3 S5 2.014(3) 2_676
P4 F3 1.569(10) 2_565
P4 F3 1.569(10) .
P4 F1 1.570(10) 2_565
P4 F1 1.570(10) .
P4 F2 1.71(5) .
P4 F2 1.71(5) 2_565
S2 Ag3 2.537(2) 2_676
S3 Ag1 2.522(2) 2_676
S5 P3 2.013(3) 2_676
S5 Ag1 2.541(2) 2_676
