#------------------------------------------------------------------------------
#$Date: 2016-06-17 04:48:19 +0300 (Fri, 17 Jun 2016) $
#$Revision: 183630 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/10/74/2107499.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2107499
loop_
_publ_author_name
'Davarcı, Derya'
'Gür, Rüştü'
'Beşli, Serap'
'Şenkuytu, Elif'
'Zorlu, Yunus'
_publ_section_title
;
 Silver(I) coordination polymers assembled from flexible
 cyclotriphosphazene ligand: structures, topologies and investigation of
 the counteranion effects
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              344
_journal_page_last               356
_journal_paper_doi               10.1107/S2052520616002663
_journal_volume                  72
_journal_year                    2016
_chemical_formula_moiety         'C51 H45 Ag3 N9 O15 P3 S3'
_chemical_formula_sum            'C51 H45 Ag3 N9 O15 P3 S3'
_chemical_formula_weight         1536.66
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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           shelx
_cell_angle_alpha                93.043(5)
_cell_angle_beta                 104.723(4)
_cell_angle_gamma                112.509(4)
_cell_formula_units_Z            2
_cell_length_a                   13.1577(10)
_cell_length_b                   13.7793(12)
_cell_length_c                   18.4731(16)
_cell_measurement_reflns_used    9901
_cell_measurement_temperature    173.(2)
_cell_measurement_theta_max      27.3243
_cell_measurement_theta_min      2.2999
_cell_volume                     2949.8(4)
_computing_cell_refinement       'APEX2 (Bruker AXS)'
_computing_data_collection       'APEX2 (Bruker AXS)'
_computing_data_reduction        'SAINT (Bruker AXS)'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2006)'
_computing_publication_material
'PLATON V1.16 (Spek, 2009), SHELXTL V6.14 (Bruker AXS)'
_computing_structure_refinement  'SHELXTL V6.14 (Bruker AXS)'
_computing_structure_solution    'SHELXTL V6.14 (Bruker AXS)'
_diffrn_ambient_temperature      173.(2)
_diffrn_detector_area_resol_mean 8.3333
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Bruker APEX II QUAZAR three-circle diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer QUAZAR mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0474
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            49496
_diffrn_reflns_theta_full        27.10
_diffrn_reflns_theta_max         27.10
_diffrn_reflns_theta_min         1.16
_exptl_absorpt_coefficient_mu    1.246
_exptl_absorpt_correction_T_max  0.88
_exptl_absorpt_correction_T_min  0.68
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1536
_exptl_crystal_size_max          0.340
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.728
_refine_diff_density_min         -0.983
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     760
_refine_ls_number_reflns         12997
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0658
_refine_ls_R_factor_gt           0.0392
_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)+(0.0320P)²+0.7896P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0767
_refine_ls_wR_factor_ref         0.0832
_reflns_number_gt                9286
_reflns_number_total             12997
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            xk5028sup1.cif
_cod_data_source_block           CCDC1422434
_cod_depositor_comments
'Adding full bibliography for 2107497--2107503.cif.'
_cod_database_code               2107499
_cod_database_fobs_code          2107499
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
Ag Ag1 0.86677(2) -0.10426(2) 0.463092(16) 0.03871(9) Uani d 1
Ag Ag2 0.58943(2) 0.56982(2) 0.574709(16) 0.03737(8) Uani d 1
Ag Ag3 0.34251(2) 0.44369(2) 0.183739(18) 0.04328(9) Uani d 1
C C1 0.7352(2) 0.0810(2) 0.63802(18) 0.0247(7) Uani d 1
C C2 0.6525(2) 0.1228(3) 0.6324(2) 0.0283(8) Uani d 1
H H2 0.6263 0.1475 0.5873 0.034 Uiso calc 1
C C3 0.6090(3) 0.1282(3) 0.6922(2) 0.0352(9) Uani d 1
H H3 0.553 0.1569 0.6878 0.042 Uiso calc 1
C C4 0.6453(3) 0.0926(3) 0.7584(2) 0.0361(9) Uani d 1
C C5 0.7267(3) 0.0497(3) 0.7628(2) 0.0357(9) Uani d 1
H H5 0.7522 0.0241 0.8076 0.043 Uiso calc 1
C C6 0.7710(3) 0.0437(3) 0.70286(19) 0.0300(8) Uani d 1
H H6 0.826 0.0139 0.7067 0.036 Uiso calc 1
C C7 0.5987(3) 0.1013(3) 0.8235(2) 0.0538(11) Uani d 1
H H7A 0.6431 0.1725 0.8543 0.081 Uiso calc 1
H H7B 0.6049 0.0475 0.8549 0.081 Uiso calc 1
H H7C 0.5176 0.0895 0.8038 0.081 Uiso calc 1
C C8 0.6745(2) 0.6809(2) 0.29135(17) 0.0220(7) Uani d 1
C C9 0.7802(3) 0.6772(3) 0.32031(19) 0.0278(8) Uani d 1
H H9 0.7966 0.6514 0.3666 0.033 Uiso calc 1
C C10 0.8624(3) 0.7108(3) 0.2824(2) 0.0317(8) Uani d 1
H H10 0.9353 0.7088 0.3033 0.038 Uiso calc 1
C C11 0.8397(3) 0.7475(3) 0.2141(2) 0.0302(8) Uani d 1
C C12 0.7329(3) 0.7503(3) 0.18590(19) 0.0350(9) Uani d 1
H H12 0.7156 0.7749 0.1392 0.042 Uiso calc 1
C C13 0.6509(3) 0.7182(3) 0.22403(19) 0.0316(8) Uani d 1
H H13 0.5786 0.7219 0.204 0.038 Uiso calc 1
C C14 0.9284(3) 0.7862(3) 0.1724(2) 0.0475(10) Uani d 1
H H14A 0.9037 0.7363 0.1251 0.071 Uiso calc 1
H H14B 1.0025 0.7906 0.2043 0.071 Uiso calc 1
H H14C 0.9368 0.8568 0.1605 0.071 Uiso calc 1
C C15 0.2318(3) 0.1376(2) 0.08317(17) 0.0236(7) Uani d 1
C C16 0.3459(3) 0.1548(3) 0.11074(19) 0.0291(8) Uani d 1
H H16 0.3874 0.1861 0.1623 0.035 Uiso calc 1
C C17 0.4005(3) 0.1266(3) 0.06363(19) 0.0316(8) Uani d 1
H H17 0.4793 0.139 0.0834 0.038 Uiso calc 1
C C18 0.3428(3) 0.0809(3) -0.0115(2) 0.0397(9) Uani d 1
C C19 0.2277(3) 0.0638(4) -0.0376(2) 0.0536(12) Uani d 1
H H19 0.1859 0.0323 -0.0891 0.064 Uiso calc 1
C C20 0.1717(3) 0.0910(3) 0.00856(19) 0.0402(9) Uani d 1
H H20 0.0926 0.0778 -0.0109 0.048 Uiso calc 1
C C21 0.4036(4) 0.0552(4) -0.0630(2) 0.0718(15) Uani d 1
H H21A 0.4869 0.0884 -0.0381 0.108 Uiso calc 1
H H21B 0.3859 0.0826 -0.1104 0.108 Uiso calc 1
H H21C 0.3778 -0.0223 -0.0743 0.108 Uiso calc 1
C C22 0.6475(2) 0.4272(2) 0.12852(17) 0.0178(7) Uani d 1
C C23 0.5741(2) 0.4424(2) 0.16451(18) 0.0228(7) Uani d 1
H H23 0.6009 0.4664 0.2178 0.027 Uiso calc 1
C C24 0.4308(3) 0.3897(3) 0.0510(2) 0.0339(9) Uani d 1
H H24 0.354 0.3759 0.023 0.041 Uiso calc 1
C C25 0.5008(3) 0.3734(3) 0.01274(19) 0.0378(9) Uani d 1
H H25 0.4727 0.3487 -0.0405 0.045 Uiso calc 1
C C26 0.6131(3) 0.3935(3) 0.05257(18) 0.0290(8) Uani d 1
H H26 0.6642 0.384 0.0276 0.035 Uiso calc 1
C C27 1.0095(2) 0.4575(2) 0.18151(16) 0.0184(7) Uani d 1
C C28 1.0308(2) 0.5633(3) 0.19394(18) 0.0249(7) Uani d 1
H H28 0.971 0.5856 0.1942 0.03 Uiso calc 1
C C29 1.1432(2) 0.6364(3) 0.20614(18) 0.0267(8) Uani d 1
H H29 1.162 0.7107 0.2153 0.032 Uiso calc 1
C C30 1.0968(2) 0.4264(3) 0.17936(17) 0.0219(7) Uani d 1
H H30 1.0796 0.3525 0.1695 0.026 Uiso calc 1
C C31 1.2274(2) 0.6013(3) 0.20492(17) 0.0254(7) Uani d 1
H H31 1.3043 0.6525 0.2144 0.031 Uiso calc 1
C C32 1.1424(2) 0.2823(3) 0.34733(17) 0.0237(7) Uani d 1
H H32 1.1774 0.2866 0.3078 0.028 Uiso calc 1
C C33 1.1508(2) 0.2153(3) 0.39806(18) 0.0242(7) Uani d 1
H H33 1.1927 0.1738 0.3929 0.029 Uiso calc 1
C C34 1.0433(2) 0.2637(2) 0.46162(17) 0.0215(7) Uani d 1
H H34 1.0073 0.2567 0.5008 0.026 Uiso calc 1
C C35 1.0335(2) 0.3335(2) 0.41267(16) 0.0165(6) Uani d 1
C C36 1.0821(2) 0.3444(2) 0.35400(17) 0.0208(7) Uani d 1
H H36 1.0747 0.392 0.3197 0.025 Uiso calc 1
C C37 0.7640(2) 0.0080(2) 0.34312(17) 0.0232(7) Uani d 1
H H37 0.7108 -0.0018 0.3714 0.028 Uiso calc 1
C C38 0.8315(2) 0.0761(2) 0.23985(17) 0.0231(7) Uani d 1
H H38 0.8266 0.1128 0.1979 0.028 Uiso calc 1
C C39 0.7555(2) 0.0590(2) 0.28185(17) 0.0180(7) Uani d 1
C C40 0.9155(2) 0.0376(3) 0.26145(18) 0.0254(7) Uani d 1
H H40 0.9695 0.0466 0.2338 0.031 Uiso calc 1
C C41 0.9205(3) -0.0139(3) 0.32297(19) 0.0279(8) Uani d 1
H H41 0.9787 -0.04 0.3371 0.033 Uiso calc 1
C C42 0.7134(2) 0.4840(2) 0.48824(17) 0.0205(7) Uani d 1
H H42 0.6933 0.5262 0.4529 0.025 Uiso calc 1
C C43 0.7861(2) 0.4385(2) 0.47759(16) 0.0179(7) Uani d 1
C C44 0.8163(2) 0.3764(3) 0.52711(17) 0.0235(7) Uani d 1
H H44 0.8653 0.3434 0.5198 0.028 Uiso calc 1
C C45 0.7722(2) 0.3638(3) 0.58820(18) 0.0251(7) Uani d 1
H H45 0.792 0.3225 0.6243 0.03 Uiso calc 1
C C46 0.7001(2) 0.4106(3) 0.59667(18) 0.0252(7) Uani d 1
H H46 0.6703 0.4007 0.6388 0.03 Uiso calc 1
C C47 0.4868(2) 0.2857(2) 0.34167(17) 0.0217(7) Uani d 1
H H47 0.4874 0.3333 0.3062 0.026 Uiso calc 1
C C48 0.5235(2) 0.2066(2) 0.33056(16) 0.0177(7) Uani d 1
C C49 0.5249(2) 0.1375(2) 0.38088(17) 0.0215(7) Uani d 1
H H49 0.5528 0.0844 0.3744 0.026 Uiso calc 1
C C50 0.4842(2) 0.1480(3) 0.44145(18) 0.0271(8) Uani d 1
H H50 0.481 0.1 0.4767 0.033 Uiso calc 1
C C51 0.4484(2) 0.2280(3) 0.45054(18) 0.0271(8) Uani d 1
H H51 0.4215 0.2348 0.4928 0.032 Uiso calc 1
N N1 0.77060(18) 0.26846(19) 0.35335(13) 0.0168(5) Uani d 1
N N2 0.71883(18) 0.26278(19) 0.20177(13) 0.0175(5) Uani d 1
N N3 0.88471(18) 0.44020(19) 0.29702(13) 0.0190(6) Uani d 1
N N4 0.66990(19) 0.4705(2) 0.54705(15) 0.0244(6) Uani d 1
N N5 0.4651(2) 0.4242(2) 0.12602(16) 0.0279(6) Uani d 1
N N6 0.8469(2) -0.0287(2) 0.36397(14) 0.0257(6) Uani d 1
N N7 0.4501(2) 0.2967(2) 0.40185(15) 0.0255(6) Uani d 1
N N8 1.20544(19) 0.4975(2) 0.19085(14) 0.0252(6) Uani d 1
N N9 1.1031(2) 0.2049(2) 0.45489(14) 0.0240(6) Uani d 1
O O1 0.8309(2) -0.0059(2) 0.56636(15) 0.0502(7) Uani d 1
O O2 0.6994(2) 0.0602(2) 0.49362(14) 0.0529(8) Uani d 1
O O3 0.8857(2) 0.1825(2) 0.57315(15) 0.0518(7) Uani d 1
O O4 0.2494(2) 0.2530(2) 0.20466(13) 0.0428(6) Uani d 1
O O5 0.0869(3) 0.2149(3) 0.09551(17) 0.0961(13) Uani d 1
O O6 0.0978(3) 0.0774(2) 0.16685(19) 0.0736(10) Uani d 1
O O7 0.5104(2) 0.51953(18) 0.31525(14) 0.0382(6) Uani d 1
O O8 0.49068(18) 0.68632(19) 0.31286(14) 0.0387(6) Uani d 1
O O9 0.6277(2) 0.6634(2) 0.41936(13) 0.0409(6) Uani d 1
O O10 0.76150(15) 0.45413(17) 0.17082(12) 0.0261(5) Uani d 1
O O11 0.90078(15) 0.37489(16) 0.16955(11) 0.0201(5) Uani d 1
O O12 0.97751(15) 0.39769(15) 0.42712(11) 0.0180(4) Uani d 1
O O13 0.82933(15) 0.46465(16) 0.41622(11) 0.0189(4) Uani d 1
O O14 0.55964(15) 0.20175(16) 0.26559(10) 0.0178(4) Uani d 1
O O15 0.66361(15) 0.09075(15) 0.26215(11) 0.0184(5) Uani d 1
P P1 0.86125(6) 0.38790(6) 0.36816(4) 0.01610(17) Uani d 1
P P2 0.68599(6) 0.21243(6) 0.27196(4) 0.01555(17) Uani d 1
P P3 0.81316(6) 0.37967(6) 0.21388(4) 0.01585(17) Uani d 1
S S1 0.79247(7) 0.07898(7) 0.56073(5) 0.0282(2) Uani d 1
S S2 0.16059(7) 0.17369(8) 0.14203(5) 0.0354(2) Uani d 1
S S3 0.56755(6) 0.63516(7) 0.33881(5) 0.02575(19) Uani d 1
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'
Ag Ag -0.8971 1.1015 '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'
S S 0.1246 0.1234 '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'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
N6 Ag1 N9 . 2_756 165.88(9)
N6 Ag1 O1 . . 108.18(9)
N9 Ag1 O1 2_756 . 85.93(9)
N4 Ag2 N7 . 2_666 164.12(10)
N4 Ag2 Ag2 . 2_666 78.78(7)
N7 Ag2 Ag2 2_666 2_666 107.84(7)
N8 Ag3 N5 1_455 . 152.04(10)
N8 Ag3 O4 1_455 . 99.52(9)
N5 Ag3 O4 . . 98.31(9)
C6 C1 C2 . . 119.6(3)
C6 C1 S1 . . 121.7(2)
C2 C1 S1 . . 118.8(3)
C3 C2 C1 . . 120.1(3)
C3 C2 H2 . . 120.0
C1 C2 H2 . . 120.0
C2 C3 C4 . . 121.2(3)
C2 C3 H3 . . 119.4
C4 C3 H3 . . 119.4
C3 C4 C5 . . 118.1(3)
C3 C4 C7 . . 120.4(3)
C5 C4 C7 . . 121.5(4)
C6 C5 C4 . . 121.2(3)
C6 C5 H5 . . 119.4
C4 C5 H5 . . 119.4
C1 C6 C5 . . 119.9(3)
C1 C6 H6 . . 120.1
C5 C6 H6 . . 120.1
C4 C7 H7A . . 109.5
C4 C7 H7B . . 109.5
H7A C7 H7B . . 109.5
C4 C7 H7C . . 109.5
H7A C7 H7C . . 109.5
H7B C7 H7C . . 109.5
C9 C8 C13 . . 119.6(3)
C9 C8 S3 . . 120.6(2)
C13 C8 S3 . . 119.8(2)
C8 C9 C10 . . 120.4(3)
C8 C9 H9 . . 119.8
C10 C9 H9 . . 119.8
C9 C10 C11 . . 120.7(3)
C9 C10 H10 . . 119.6
C11 C10 H10 . . 119.6
C12 C11 C10 . . 117.9(3)
C12 C11 C14 . . 120.4(3)
C10 C11 C14 . . 121.7(3)
C13 C12 C11 . . 121.7(3)
C13 C12 H12 . . 119.1
C11 C12 H12 . . 119.1
C8 C13 C12 . . 119.6(3)
C8 C13 H13 . . 120.2
C12 C13 H13 . . 120.2
C11 C14 H14A . . 109.5
C11 C14 H14B . . 109.5
H14A C14 H14B . . 109.5
C11 C14 H14C . . 109.5
H14A C14 H14C . . 109.5
H14B C14 H14C . . 109.5
C16 C15 C20 . . 119.6(3)
C16 C15 S2 . . 121.1(2)
C20 C15 S2 . . 119.3(2)
C15 C16 C17 . . 120.3(3)
C15 C16 H16 . . 119.9
C17 C16 H16 . . 119.9
C18 C17 C16 . . 121.3(3)
C18 C17 H17 . . 119.3
C16 C17 H17 . . 119.3
C17 C18 C19 . . 117.2(3)
C17 C18 C21 . . 121.1(3)
C19 C18 C21 . . 121.7(3)
C20 C19 C18 . . 122.3(3)
C20 C19 H19 . . 118.8
C18 C19 H19 . . 118.8
C15 C20 C19 . . 119.3(3)
C15 C20 H20 . . 120.4
C19 C20 H20 . . 120.4
C18 C21 H21A . . 109.5
C18 C21 H21B . . 109.5
H21A C21 H21B . . 109.5
C18 C21 H21C . . 109.5
H21A C21 H21C . . 109.5
H21B C21 H21C . . 109.5
C26 C22 C23 . . 121.2(3)
C26 C22 O10 . . 120.0(2)
C23 C22 O10 . . 118.6(3)
N5 C23 C22 . . 121.5(3)
N5 C23 H23 . . 119.2
C22 C23 H23 . . 119.2
N5 C24 C25 . . 123.4(3)
N5 C24 H24 . . 118.3
C25 C24 H24 . . 118.3
C24 C25 C26 . . 119.1(3)
C24 C25 H25 . . 120.4
C26 C25 H25 . . 120.4
C22 C26 C25 . . 117.6(3)
C22 C26 H26 . . 121.2
C25 C26 H26 . . 121.2
C28 C27 C30 . . 120.6(3)
C28 C27 O11 . . 123.6(2)
C30 C27 O11 . . 115.8(3)
C27 C28 C29 . . 117.3(3)
C27 C28 H28 . . 121.4
C29 C28 H28 . . 121.4
C31 C29 C28 . . 119.8(3)
C31 C29 H29 . . 120.1
C28 C29 H29 . . 120.1
N8 C30 C27 . . 121.8(3)
N8 C30 H30 . . 119.1
C27 C30 H30 . . 119.1
N8 C31 C29 . . 122.6(3)
N8 C31 H31 . . 118.7
C29 C31 H31 . . 118.7
C33 C32 C36 . . 119.3(3)
C33 C32 H32 . . 120.3
C36 C32 H32 . . 120.3
N9 C33 C32 . . 123.5(3)
N9 C33 H33 . . 118.2
C32 C33 H33 . . 118.2
N9 C34 C35 . . 121.0(3)
N9 C34 H34 . . 119.5
C35 C34 H34 . . 119.5
C34 C35 C36 . . 121.4(3)
C34 C35 O12 . . 117.4(2)
C36 C35 O12 . . 121.1(3)
C35 C36 C32 . . 116.9(3)
C35 C36 H36 . . 121.6
C32 C36 H36 . . 121.6
N6 C37 C39 . . 120.9(3)
N6 C37 H37 . . 119.5
C39 C37 H37 . . 119.5
C39 C38 C40 . . 117.0(3)
C39 C38 H38 . . 121.5
C40 C38 H38 . . 121.5
C37 C39 C38 . . 121.5(3)
C37 C39 O15 . . 117.2(2)
C38 C39 O15 . . 121.3(3)
C41 C40 C38 . . 119.6(3)
C41 C40 H40 . . 120.2
C38 C40 H40 . . 120.2
N6 C41 C40 . . 122.7(3)
N6 C41 H41 . . 118.6
C40 C41 H41 . . 118.6
N4 C42 C43 . . 121.9(3)
N4 C42 H42 . . 119.1
C43 C42 H42 . . 119.1
C44 C43 C42 . . 120.7(3)
C44 C43 O13 . . 124.1(2)
C42 C43 O13 . . 115.2(3)
C43 C44 C45 . . 117.2(3)
C43 C44 H44 . . 121.4
C45 C44 H44 . . 121.4
C46 C45 C44 . . 120.2(3)
C46 C45 H45 . . 119.9
C44 C45 H45 . . 119.9
N4 C46 C45 . . 122.1(3)
N4 C46 H46 . . 118.9
C45 C46 H46 . . 118.9
N7 C47 C48 . . 121.0(3)
N7 C47 H47 . . 119.5
C48 C47 H47 . . 119.5
C49 C48 C47 . . 121.0(3)
C49 C48 O14 . . 122.5(3)
C47 C48 O14 . . 116.4(3)
C48 C49 C50 . . 117.3(3)
C48 C49 H49 . . 121.3
C50 C49 H49 . . 121.3
C51 C50 C49 . . 119.8(3)
C51 C50 H50 . . 120.1
C49 C50 H50 . . 120.1
N7 C51 C50 . . 122.2(3)
N7 C51 H51 . . 118.9
C50 C51 H51 . . 118.9
P2 N1 P1 . . 121.12(15)
P3 N2 P2 . . 120.29(15)
P3 N3 P1 . . 121.48(15)
C42 N4 C46 . . 118.0(2)
C42 N4 Ag2 . . 119.8(2)
C46 N4 Ag2 . . 120.69(19)
C24 N5 C23 . . 117.1(3)
C24 N5 Ag3 . . 120.6(2)
C23 N5 Ag3 . . 122.2(2)
C41 N6 C37 . . 118.2(3)
C41 N6 Ag1 . . 119.9(2)
C37 N6 Ag1 . . 121.8(2)
C51 N7 C47 . . 118.6(3)
C51 N7 Ag2 . 2_666 120.5(2)
C47 N7 Ag2 . 2_666 120.6(2)
C30 N8 C31 . . 117.8(2)
C30 N8 Ag3 . 1_655 120.5(2)
C31 N8 Ag3 . 1_655 121.64(18)
C33 N9 C34 . . 117.9(3)
C33 N9 Ag1 . 2_756 120.0(2)
C34 N9 Ag1 . 2_756 122.0(2)
S1 O1 Ag1 . . 127.66(14)
S2 O4 Ag3 . . 119.01(14)
C22 O10 P3 . . 127.51(19)
C27 O11 P3 . . 122.93(18)
C35 O12 P1 . . 121.03(17)
C43 O13 P1 . . 124.04(18)
C48 O14 P2 . . 121.30(16)
C39 O15 P2 . . 121.13(17)
N3 P1 N1 . . 117.65(13)
N3 P1 O13 . . 106.62(12)
N1 P1 O13 . . 111.85(11)
N3 P1 O12 . . 111.26(11)
N1 P1 O12 . . 108.26(11)
O13 P1 O12 . . 99.76(10)
N1 P2 O15 . . 108.54(12)
N1 P2 N2 . . 117.78(12)
O15 P2 N2 . . 110.78(12)
N1 P2 O14 . . 111.26(11)
O15 P2 O14 . . 99.74(10)
N2 P2 O14 . . 107.25(11)
N3 P3 N2 . . 119.04(13)
N3 P3 O10 . . 107.63(13)
N2 P3 O10 . . 111.44(11)
N3 P3 O11 . . 108.26(11)
N2 P3 O11 . . 106.84(11)
O10 P3 O11 . . 102.31(11)
O2 S1 O3 . . 113.12(17)
O2 S1 O1 . . 113.63(17)
O3 S1 O1 . . 112.88(16)
O2 S1 C1 . . 105.63(14)
O3 S1 C1 . . 105.12(15)
O1 S1 C1 . . 105.47(15)
O5 S2 O6 . . 112.9(2)
O5 S2 O4 . . 112.70(19)
O6 S2 O4 . . 112.09(18)
O5 S2 C15 . . 105.99(17)
O6 S2 C15 . . 105.86(15)
O4 S2 C15 . . 106.68(14)
O8 S3 O9 . . 114.56(15)
O8 S3 O7 . . 112.14(15)
O9 S3 O7 . . 111.11(15)
O8 S3 C8 . . 105.85(14)
O9 S3 C8 . . 106.56(14)
O7 S3 C8 . . 105.93(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ag1 N6 . 2.162(3)
Ag1 N9 2_756 2.171(2)
Ag1 O1 . 2.524(2)
Ag2 N4 . 2.136(2)
Ag2 N7 2_666 2.146(3)
Ag2 Ag2 2_666 3.0865(6)
Ag3 N8 1_455 2.226(2)
Ag3 N5 . 2.233(2)
Ag3 O4 . 2.538(2)
C1 C6 . 1.373(4)
C1 C2 . 1.397(4)
C1 S1 . 1.780(3)
C2 C3 . 1.378(4)
C2 H2 . 0.95
C3 C4 . 1.382(5)
C3 H3 . 0.95
C4 C5 . 1.396(5)
C4 C7 . 1.502(5)
C5 C6 . 1.389(4)
C5 H5 . 0.95
C6 H6 . 0.95
C7 H7A . 0.98
C7 H7B . 0.98
C7 H7C . 0.98
C8 C9 . 1.379(4)
C8 C13 . 1.379(4)
C8 S3 . 1.776(3)
C9 C10 . 1.383(4)
C9 H9 . 0.95
C10 C11 . 1.389(5)
C10 H10 . 0.95
C11 C12 . 1.385(4)
C11 C14 . 1.505(4)
C12 C13 . 1.382(4)
C12 H12 . 0.95
C13 H13 . 0.95
C14 H14A . 0.98
C14 H14B . 0.98
C14 H14C . 0.98
C15 C16 . 1.377(4)
C15 C20 . 1.379(4)
C15 S2 . 1.768(3)
C16 C17 . 1.385(4)
C16 H16 . 0.95
C17 C18 . 1.380(5)
C17 H17 . 0.95
C18 C19 . 1.387(5)
C18 C21 . 1.497(5)
C19 C20 . 1.382(5)
C19 H19 . 0.95
C20 H20 . 0.95
C21 H21A . 0.98
C21 H21B . 0.98
C21 H21C . 0.98
C22 C26 . 1.355(4)
C22 C23 . 1.374(4)
C22 O10 . 1.394(3)
C23 N5 . 1.347(4)
C23 H23 . 0.95
C24 N5 . 1.341(4)
C24 C25 . 1.367(5)
C24 H24 . 0.95
C25 C26 . 1.383(4)
C25 H25 . 0.95
C26 H26 . 0.95
C27 C28 . 1.370(4)
C27 C30 . 1.379(4)
C27 O11 . 1.399(3)
C28 C29 . 1.385(4)
C28 H28 . 0.95
C29 C31 . 1.373(4)
C29 H29 . 0.95
C30 N8 . 1.341(4)
C30 H30 . 0.95
C31 N8 . 1.342(4)
C31 H31 . 0.95
C32 C33 . 1.364(4)
C32 C36 . 1.390(4)
C32 H32 . 0.95
C33 N9 . 1.341(4)
C33 H33 . 0.95
C34 N9 . 1.349(4)
C34 C35 . 1.374(4)
C34 H34 . 0.95
C35 C36 . 1.380(4)
C35 O12 . 1.403(3)
C36 H36 . 0.95
C37 N6 . 1.351(4)
C37 C39 . 1.367(4)
C37 H37 . 0.95
C38 C39 . 1.376(4)
C38 C40 . 1.382(4)
C38 H38 . 0.95
C39 O15 . 1.408(3)
C40 C41 . 1.372(4)
C40 H40 . 0.95
C41 N6 . 1.339(4)
C41 H41 . 0.95
C42 N4 . 1.341(4)
C42 C43 . 1.375(4)
C42 H42 . 0.95
C43 C44 . 1.374(4)
C43 O13 . 1.397(3)
C44 C45 . 1.384(4)
C44 H44 . 0.95
C45 C46 . 1.369(4)
C45 H45 . 0.95
C46 N4 . 1.351(4)
C46 H46 . 0.95
C47 N7 . 1.343(4)
C47 C48 . 1.377(4)
C47 H47 . 0.95
C48 C49 . 1.367(4)
C48 O14 . 1.406(3)
C49 C50 . 1.381(4)
C49 H49 . 0.95
C50 C51 . 1.371(4)
C50 H50 . 0.95
C51 N7 . 1.338(4)
C51 H51 . 0.95
N1 P2 . 1.570(2)
N1 P1 . 1.578(2)
N2 P3 . 1.573(2)
N2 P2 . 1.581(2)
N3 P3 . 1.571(2)
N3 P1 . 1.574(2)
N7 Ag2 2_666 2.146(3)
N8 Ag3 1_655 2.226(2)
N9 Ag1 2_756 2.171(2)
O1 S1 . 1.441(2)
O2 S1 . 1.434(2)
O3 S1 . 1.440(3)
O4 S2 . 1.448(2)
O5 S2 . 1.432(3)
O6 S2 . 1.440(3)
O7 S3 . 1.462(2)
O8 S3 . 1.444(2)
O9 S3 . 1.448(2)
O10 P3 . 1.579(2)
O11 P3 . 1.5926(18)
O12 P1 . 1.5887(19)
O13 P1 . 1.585(2)
O14 P2 . 1.5844(17)
O15 P2 . 1.579(2)
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
C6 C1 C2 C3 . . 1.2(5)
S1 C1 C2 C3 . . -178.1(2)
C1 C2 C3 C4 . . -0.2(5)
C2 C3 C4 C5 . . -0.7(5)
C2 C3 C4 C7 . . 178.7(3)
C3 C4 C5 C6 . . 0.6(5)
C7 C4 C5 C6 . . -178.8(3)
C2 C1 C6 C5 . . -1.3(5)
S1 C1 C6 C5 . . 178.0(3)
C4 C5 C6 C1 . . 0.4(5)
C13 C8 C9 C10 . . 0.1(5)
S3 C8 C9 C10 . . 178.7(3)
C8 C9 C10 C11 . . -0.9(5)
C9 C10 C11 C12 . . 0.7(5)
C9 C10 C11 C14 . . 179.0(3)
C10 C11 C12 C13 . . 0.2(5)
C14 C11 C12 C13 . . -178.1(3)
C9 C8 C13 C12 . . 0.8(5)
S3 C8 C13 C12 . . -177.8(3)
C11 C12 C13 C8 . . -1.0(5)
C20 C15 C16 C17 . . 0.7(5)
S2 C15 C16 C17 . . -179.6(3)
C15 C16 C17 C18 . . 0.0(5)
C16 C17 C18 C19 . . -0.4(6)
C16 C17 C18 C21 . . 177.2(4)
C17 C18 C19 C20 . . 0.2(6)
C21 C18 C19 C20 . . -177.4(4)
C16 C15 C20 C19 . . -0.9(5)
S2 C15 C20 C19 . . 179.4(3)
C18 C19 C20 C15 . . 0.5(6)
C26 C22 C23 N5 . . 0.3(5)
O10 C22 C23 N5 . . 175.9(3)
N5 C24 C25 C26 . . -0.2(6)
C23 C22 C26 C25 . . -1.0(5)
O10 C22 C26 C25 . . -176.5(3)
C24 C25 C26 C22 . . 1.0(5)
C30 C27 C28 C29 . . -1.7(4)
O11 C27 C28 C29 . . 179.0(3)
C27 C28 C29 C31 . . 0.4(5)
C28 C27 C30 N8 . . 1.5(5)
O11 C27 C30 N8 . . -179.2(2)
C28 C29 C31 N8 . . 1.2(5)
C36 C32 C33 N9 . . 0.4(5)
N9 C34 C35 C36 . . 1.4(4)
N9 C34 C35 O12 . . -175.1(2)
C34 C35 C36 C32 . . -0.7(4)
O12 C35 C36 C32 . . 175.7(2)
C33 C32 C36 C35 . . -0.2(4)
N6 C37 C39 C38 . . -0.8(5)
N6 C37 C39 O15 . . 177.4(3)
C40 C38 C39 C37 . . 1.2(4)
C40 C38 C39 O15 . . -177.0(3)
C39 C38 C40 C41 . . -0.8(5)
C38 C40 C41 N6 . . -0.1(5)
N4 C42 C43 C44 . . 0.5(4)
N4 C42 C43 O13 . . -176.6(2)
C42 C43 C44 C45 . . -1.2(4)
O13 C43 C44 C45 . . 175.6(3)
C43 C44 C45 C46 . . 1.2(5)
C44 C45 C46 N4 . . -0.4(5)
N7 C47 C48 C49 . . -0.7(4)
N7 C47 C48 O14 . . 179.7(2)
C47 C48 C49 C50 . . 2.3(4)
O14 C48 C49 C50 . . -178.2(2)
C48 C49 C50 C51 . . -2.3(4)
C49 C50 C51 N7 . . 0.8(5)
C43 C42 N4 C46 . . 0.3(4)
C43 C42 N4 Ag2 . . 166.2(2)
C45 C46 N4 C42 . . -0.4(4)
C45 C46 N4 Ag2 . . -166.2(2)
N7 Ag2 N4 C42 2_666 . -45.5(5)
Ag2 Ag2 N4 C42 2_666 . 70.9(2)
N7 Ag2 N4 C46 2_666 . 120.1(4)
Ag2 Ag2 N4 C46 2_666 . -123.5(2)
C25 C24 N5 C23 . . -0.5(5)
C25 C24 N5 Ag3 . . -178.2(3)
C22 C23 N5 C24 . . 0.5(4)
C22 C23 N5 Ag3 . . 178.1(2)
N8 Ag3 N5 C24 1_455 . -44.5(4)
O4 Ag3 N5 C24 . . 84.7(3)
N8 Ag3 N5 C23 1_455 . 137.9(2)
O4 Ag3 N5 C23 . . -92.9(2)
C40 C41 N6 C37 . . 0.6(5)
C40 C41 N6 Ag1 . . -177.1(2)
C39 C37 N6 C41 . . -0.1(4)
C39 C37 N6 Ag1 . . 177.6(2)
N9 Ag1 N6 C41 2_756 . -39.6(5)
O1 Ag1 N6 C41 . . 138.7(2)
N9 Ag1 N6 C37 2_756 . 142.8(3)
O1 Ag1 N6 C37 . . -38.9(3)
C50 C51 N7 C47 . . 0.8(4)
C50 C51 N7 Ag2 . 2_666 -173.3(2)
C48 C47 N7 C51 . . -0.9(4)
C48 C47 N7 Ag2 . 2_666 173.3(2)
C27 C30 N8 C31 . . 0.2(4)
C27 C30 N8 Ag3 . 1_655 -178.3(2)
C29 C31 N8 C30 . . -1.5(5)
C29 C31 N8 Ag3 . 1_655 177.0(2)
C32 C33 N9 C34 . . 0.4(4)
C32 C33 N9 Ag1 . 2_756 -175.5(2)
C35 C34 N9 C33 . . -1.2(4)
C35 C34 N9 Ag1 . 2_756 174.5(2)
N6 Ag1 O1 S1 . . 5.8(2)
N9 Ag1 O1 S1 2_756 . -174.6(2)
N8 Ag3 O4 S2 1_455 . 78.74(16)
N5 Ag3 O4 S2 . . -79.65(16)
C26 C22 O10 P3 . . -93.0(3)
C23 C22 O10 P3 . . 91.4(3)
C28 C27 O11 P3 . . -38.3(4)
C30 C27 O11 P3 . . 142.4(2)
C34 C35 O12 P1 . . -117.0(2)
C36 C35 O12 P1 . . 66.5(3)
C44 C43 O13 P1 . . 33.7(4)
C42 C43 O13 P1 . . -149.3(2)
C49 C48 O14 P2 . . -58.5(3)
C47 C48 O14 P2 . . 121.1(2)
C37 C39 O15 P2 . . 111.7(3)
C38 C39 O15 P2 . . -70.1(3)
P3 N3 P1 N1 . . 5.2(2)
P3 N3 P1 O13 . . -121.29(16)
P3 N3 P1 O12 . . 130.90(15)
P2 N1 P1 N3 . . -14.2(2)
P2 N1 P1 O13 . . 109.72(16)
P2 N1 P1 O12 . . -141.34(14)
C43 O13 P1 N3 . . 170.1(2)
C43 O13 P1 N1 . . 40.2(2)
C43 O13 P1 O12 . . -74.1(2)
C35 O12 P1 N3 . . -74.5(2)
C35 O12 P1 N1 . . 56.2(2)
C35 O12 P1 O13 . . 173.2(2)
P1 N1 P2 O15 . . 146.38(14)
P1 N1 P2 N2 . . 19.5(2)
P1 N1 P2 O14 . . -104.83(16)
C39 O15 P2 N1 . . -47.9(2)
C39 O15 P2 N2 . . 82.9(2)
C39 O15 P2 O14 . . -164.4(2)
P3 N2 P2 N1 . . -16.0(2)
P3 N2 P2 O15 . . -141.73(14)
P3 N2 P2 O14 . . 110.37(15)
C48 O14 P2 N1 . . -20.8(2)
C48 O14 P2 O15 . . 93.5(2)
C48 O14 P2 N2 . . -151.0(2)
P1 N3 P3 N2 . . -2.0(2)
P1 N3 P3 O10 . . 125.93(16)
P1 N3 P3 O11 . . -124.16(16)
P2 N2 P3 N3 . . 7.5(2)
P2 N2 P3 O10 . . -118.69(16)
P2 N2 P3 O11 . . 130.32(15)
C22 O10 P3 N3 . . -130.2(2)
C22 O10 P3 N2 . . 2.1(3)
C22 O10 P3 O11 . . 115.9(2)
C27 O11 P3 N3 . . -35.4(2)
C27 O11 P3 N2 . . -164.7(2)
C27 O11 P3 O10 . . 78.1(2)
Ag1 O1 S1 O2 . . 44.4(2)
Ag1 O1 S1 O3 . . -86.1(2)
Ag1 O1 S1 C1 . . 159.62(17)
C6 C1 S1 O2 . . 146.2(3)
C2 C1 S1 O2 . . -34.4(3)
C6 C1 S1 O3 . . -93.9(3)
C2 C1 S1 O3 . . 85.4(3)
C6 C1 S1 O1 . . 25.6(3)
C2 C1 S1 O1 . . -155.1(3)
Ag3 O4 S2 O5 . . -37.4(2)
Ag3 O4 S2 O6 . . -166.04(15)
Ag3 O4 S2 C15 . . 78.53(17)
C16 C15 S2 O5 . . 141.3(3)
C20 C15 S2 O5 . . -38.9(3)
C16 C15 S2 O6 . . -98.5(3)
C20 C15 S2 O6 . . 81.2(3)
C16 C15 S2 O4 . . 21.0(3)
C20 C15 S2 O4 . . -159.2(3)
C9 C8 S3 O8 . . 158.2(3)
C13 C8 S3 O8 . . -23.2(3)
C9 C8 S3 O9 . . 35.9(3)
C13 C8 S3 O9 . . -145.6(3)
C9 C8 S3 O7 . . -82.5(3)
C13 C8 S3 O7 . . 96.0(3)
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.500 1.000 242 62 ' '
