#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:36:30 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179148 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/09/4310933.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_4310933
loop_
_publ_author_name
'Philip I. Richards'
'Alexander Steiner'
_publ_section_title
;
 Cyclophosphazenes as Nodal Ligands in Coordination Polymers
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2810
_journal_page_last               2817
_journal_paper_doi               10.1021/ic035455e
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C36 H96 Ag3 Cl3 N18 O12 P6'
_chemical_formula_weight         1589.08
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 94.3530(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.6987(5)
_cell_length_b                   23.5481(10)
_cell_length_c                   21.5863(10)
_cell_measurement_temperature    150(2)
_cell_volume                     6436.3(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX CCD'
_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  0.0429
_diffrn_reflns_av_sigmaI/netI    0.0589
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            33614
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.56
_exptl_absorpt_coefficient_mu    1.242
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   semi-empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.640
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3264
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.187
_refine_diff_density_min         -0.663
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.923
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     713
_refine_ls_number_reflns         11336
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.923
_refine_ls_R_factor_all          0.0542
_refine_ls_R_factor_gt           0.0379
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0473P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0927
_reflns_number_gt                8366
_reflns_number_total             11336
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic035455esi20031218_125322_1.cif
_cod_data_source_block           1AgClO4
_cod_database_code               4310933
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.90290(2) 0.198936(13) 0.252171(15) 0.02370(9) Uani 1 1 d . . .
Ag2 Ag 0.40051(2) 0.209835(14) 0.245796(15) 0.02336(9) Uani 1 1 d . . .
Ag3 Ag 0.15557(3) 0.239411(14) 0.500874(15) 0.02561(10) Uani 1 1 d . . .
P11 P 0.64453(8) 0.19491(5) 0.23911(5) 0.0219(3) Uani 1 1 d . . .
N11 N 0.7498(2) 0.20533(13) 0.20207(15) 0.0204(8) Uani 1 1 d . . .
P12 P 0.74987(8) 0.20813(4) 0.12735(5) 0.0206(2) Uani 1 1 d . . .
N12 N 0.6418(2) 0.23540(13) 0.09593(15) 0.0213(8) Uani 1 1 d . . .
P13 P 0.52707(8) 0.22396(5) 0.12192(5) 0.0238(3) Uani 1 1 d . . .
N13 N 0.5384(2) 0.21054(14) 0.19561(15) 0.0217(8) Uani 1 1 d . . .
N110 N 0.6279(3) 0.13169(14) 0.26637(16) 0.0284(9) Uani 1 1 d . . .
H110 H 0.6382 0.1256 0.3066 0.034 Uiso 1 1 calc R . .
C111 C 0.5959(4) 0.08454(19) 0.2245(2) 0.0374(12) Uani 1 1 d . . .
H11A H 0.6592 0.0620 0.2164 0.045 Uiso 1 1 calc R . .
H11B H 0.5665 0.1003 0.1844 0.045 Uiso 1 1 calc R . .
C112 C 0.5165(5) 0.0463(2) 0.2494(3) 0.0619(17) Uani 1 1 d . . .
H11C H 0.4507 0.0681 0.2540 0.074 Uiso 1 1 calc R . .
H11D H 0.5432 0.0332 0.2913 0.074 Uiso 1 1 calc R . .
C113 C 0.4911(6) -0.0046(3) 0.2091(3) 0.094(3) Uani 1 1 d . . .
H11E H 0.4388 -0.0282 0.2280 0.141 Uiso 1 1 calc R . .
H11F H 0.5556 -0.0267 0.2050 0.141 Uiso 1 1 calc R . .
H11G H 0.4626 0.0080 0.1679 0.141 Uiso 1 1 calc R . .
N120 N 0.7650(3) 0.14622(14) 0.09703(17) 0.0301(9) Uani 1 1 d . . .
H120 H 0.7185 0.1358 0.0669 0.036 Uiso 1 1 calc R . .
C121 C 0.8499(4) 0.10573(18) 0.1155(2) 0.0393(12) Uani 1 1 d . A .
H12A H 0.8569 0.1022 0.1614 0.047 Uiso 1 1 calc R . .
H12B H 0.9177 0.1200 0.1019 0.047 Uiso 1 1 calc R . .
C122 C 0.8258(6) 0.0483(2) 0.0867(4) 0.081(2) Uani 1 1 d . . .
H12C H 0.8267 0.0535 0.0413 0.097 Uiso 0.683(11) 1 calc PR A 1
H12D H 0.8869 0.0237 0.0995 0.097 Uiso 0.683(11) 1 calc PR A 1
H12C H 0.7554 0.0366 0.0988 0.097 Uiso 0.317(11) 1 calc PR A 2
H12D H 0.8198 0.0533 0.0411 0.097 Uiso 0.317(11) 1 calc PR A 2
C123 C 0.7438(10) 0.0192(4) 0.0951(6) 0.105(5) Uani 0.683(11) 1 d P A 1
H12E H 0.7455 -0.0162 0.0713 0.157 Uiso 0.683(11) 1 calc PR A 1
H12F H 0.6807 0.0410 0.0810 0.157 Uiso 0.683(11) 1 calc PR A 1
H12G H 0.7419 0.0103 0.1394 0.157 Uiso 0.683(11) 1 calc PR A 1
C12' C 0.8961(15) 0.0024(8) 0.1005(9) 0.070(7) Uani 0.317(11) 1 d P A 2
H12J H 0.8558 -0.0330 0.1023 0.105 Uiso 0.317(11) 1 calc PR A 2
H12K H 0.9354 0.0090 0.1407 0.105 Uiso 0.317(11) 1 calc PR A 2
H12L H 0.9457 -0.0006 0.0680 0.105 Uiso 0.317(11) 1 calc PR A 2
N130 N 0.4706(3) 0.17420(17) 0.07988(17) 0.0375(10) Uani 1 1 d . . .
H130 H 0.5034 0.1636 0.0473 0.045 Uiso 1 1 calc R . .
C131 C 0.3718(4) 0.1446(3) 0.0892(3) 0.073(2) Uani 1 1 d . . .
H13A H 0.3760 0.1293 0.1320 0.088 Uiso 1 1 calc R . .
H13B H 0.3136 0.1727 0.0857 0.088 Uiso 1 1 calc R . .
C132 C 0.3453(5) 0.0985(3) 0.0464(3) 0.113(3) Uani 1 1 d . . .
H13C H 0.4079 0.0735 0.0459 0.135 Uiso 1 1 calc R . .
H13D H 0.3330 0.1150 0.0043 0.135 Uiso 1 1 calc R . .
C133 C 0.2540(6) 0.0628(4) 0.0577(4) 0.131(4) Uani 1 1 d . . .
H13E H 0.2447 0.0338 0.0252 0.197 Uiso 1 1 calc R . .
H13F H 0.1905 0.0865 0.0572 0.197 Uiso 1 1 calc R . .
H13G H 0.2659 0.0444 0.0983 0.197 Uiso 1 1 calc R . .
N140 N 0.6590(3) 0.23378(15) 0.30220(16) 0.0292(9) Uani 1 1 d . . .
H140 H 0.6548 0.2180 0.3389 0.035 Uiso 1 1 calc R . .
C141 C 0.6794(4) 0.29577(18) 0.2972(2) 0.0374(12) Uani 1 1 d . . .
H14A H 0.6935 0.3046 0.2538 0.045 Uiso 1 1 calc R . .
H14B H 0.6148 0.3166 0.3066 0.045 Uiso 1 1 calc R . .
C142 C 0.7691(4) 0.3166(2) 0.3390(3) 0.0551(15) Uani 1 1 d . . .
H14C H 0.8343 0.2962 0.3299 0.066 Uiso 1 1 calc R . .
H14D H 0.7552 0.3088 0.3827 0.066 Uiso 1 1 calc R . .
C143 C 0.7844(5) 0.3799(2) 0.3302(3) 0.073(2) Uani 1 1 d . . .
H14E H 0.8435 0.3931 0.3584 0.110 Uiso 1 1 calc R . .
H14F H 0.7199 0.4000 0.3394 0.110 Uiso 1 1 calc R . .
H14G H 0.7997 0.3875 0.2872 0.110 Uiso 1 1 calc R . .
N150 N 0.8506(3) 0.24621(14) 0.11293(17) 0.0275(9) Uani 1 1 d . . .
H150 H 0.8963 0.2313 0.0890 0.033 Uiso 1 1 calc R . .
C151 C 0.8720(4) 0.30342(17) 0.1364(2) 0.0332(11) Uani 1 1 d . . .
H15A H 0.9493 0.3076 0.1452 0.040 Uiso 1 1 calc R . .
H15B H 0.8391 0.3077 0.1762 0.040 Uiso 1 1 calc R . .
C152 C 0.8340(4) 0.35001(19) 0.0945(2) 0.0472(14) Uani 1 1 d . . .
H15C H 0.7567 0.3461 0.0856 0.057 Uiso 1 1 calc R . .
H15D H 0.8672 0.3462 0.0547 0.057 Uiso 1 1 calc R . .
C153 C 0.8578(4) 0.4088(2) 0.1210(3) 0.0616(17) Uani 1 1 d . . .
H15E H 0.8300 0.4376 0.0914 0.092 Uiso 1 1 calc R . .
H15F H 0.9344 0.4136 0.1285 0.092 Uiso 1 1 calc R . .
H15G H 0.8245 0.4131 0.1602 0.092 Uiso 1 1 calc R . .
N160 N 0.4471(3) 0.27717(16) 0.11388(18) 0.0375(10) Uani 1 1 d . . .
H160 H 0.3991 0.2762 0.0823 0.045 Uiso 1 1 calc R . .
C161 C 0.4476(4) 0.3270(2) 0.1548(3) 0.0564(17) Uani 1 1 d . . .
H16A H 0.4490 0.3139 0.1984 0.068 Uiso 1 1 calc R . .
H16B H 0.3813 0.3485 0.1455 0.068 Uiso 1 1 calc R . .
C162 C 0.5406(5) 0.3667(2) 0.1482(3) 0.0684(19) Uani 1 1 d . . .
H16C H 0.5361 0.3984 0.1780 0.082 Uiso 1 1 calc R . .
H16D H 0.6068 0.3457 0.1598 0.082 Uiso 1 1 calc R . .
C163 C 0.5466(4) 0.3907(2) 0.0846(3) 0.0523(15) Uani 1 1 d . . .
H16E H 0.6095 0.4148 0.0838 0.078 Uiso 1 1 calc R . .
H16F H 0.4834 0.4135 0.0735 0.078 Uiso 1 1 calc R . .
H16G H 0.5510 0.3597 0.0546 0.078 Uiso 1 1 calc R . .
P21 P 0.28427(8) 0.22643(5) 0.37314(5) 0.0219(3) Uani 1 1 d . . .
N21 N 0.2667(3) 0.21173(14) 0.29948(15) 0.0220(8) Uani 1 1 d . . .
P22 P 0.15548(8) 0.21118(4) 0.25600(5) 0.0201(2) Uani 1 1 d . . .
N22 N 0.0586(2) 0.20035(13) 0.29887(16) 0.0215(8) Uani 1 1 d . . .
P23 P 0.07626(8) 0.18244(4) 0.37156(5) 0.0208(2) Uani 1 1 d . . .
N23 N 0.1774(3) 0.21286(13) 0.40671(15) 0.0207(8) Uani 1 1 d . . .
N210 N 0.3898(3) 0.19197(14) 0.39775(16) 0.0254(8) Uani 1 1 d . . .
H210 H 0.4365 0.2104 0.4224 0.030 Uiso 1 1 calc R . .
C211 C 0.4147(4) 0.13273(18) 0.3827(2) 0.0328(11) Uani 1 1 d . . .
H21A H 0.4802 0.1323 0.3606 0.039 Uiso 1 1 calc R . .
H21B H 0.3571 0.1176 0.3539 0.039 Uiso 1 1 calc R . .
C212 C 0.4291(4) 0.0942(2) 0.4373(2) 0.0465(14) Uani 1 1 d . . .
H21C H 0.3615 0.0911 0.4571 0.056 Uiso 1 1 calc R . .
H21D H 0.4821 0.1108 0.4681 0.056 Uiso 1 1 calc R . .
C213 C 0.4648(5) 0.0354(2) 0.4194(3) 0.0573(16) Uani 1 1 d . . .
H21E H 0.4728 0.0114 0.4565 0.086 Uiso 1 1 calc R . .
H21F H 0.5327 0.0382 0.4008 0.086 Uiso 1 1 calc R . .
H21G H 0.4121 0.0187 0.3893 0.086 Uiso 1 1 calc R . .
N220 N 0.1697(3) 0.16385(14) 0.20233(16) 0.0263(8) Uani 1 1 d . . .
H220 H 0.1618 0.1739 0.1630 0.032 Uiso 1 1 calc R . .
C221 C 0.1955(4) 0.10447(18) 0.2185(2) 0.0340(11) Uani 1 1 d . . .
H22A H 0.2159 0.1020 0.2636 0.041 Uiso 1 1 calc R . .
H22B H 0.2571 0.0925 0.1962 0.041 Uiso 1 1 calc R . .
C222 C 0.1060(4) 0.0645(2) 0.2027(3) 0.0531(15) Uani 1 1 d . . .
H22C H 0.0862 0.0661 0.1575 0.064 Uiso 1 1 calc R . .
H22D H 0.0439 0.0764 0.2246 0.064 Uiso 1 1 calc R . .
C223 C 0.1366(6) 0.0033(2) 0.2214(3) 0.090(2) Uani 1 1 d . . .
H22E H 0.0767 -0.0220 0.2109 0.136 Uiso 1 1 calc R . .
H22F H 0.1558 0.0017 0.2662 0.136 Uiso 1 1 calc R . .
H22G H 0.1970 -0.0087 0.1989 0.136 Uiso 1 1 calc R . .
N230 N 0.0878(3) 0.11364(13) 0.37334(16) 0.0242(8) Uani 1 1 d . . .
H230 H 0.0798 0.0949 0.3381 0.029 Uiso 1 1 calc R . .
C231 C 0.1111(4) 0.08119(18) 0.4313(2) 0.0322(11) Uani 1 1 d . . .
H23A H 0.0446 0.0740 0.4511 0.039 Uiso 1 1 calc R . .
H23B H 0.1581 0.1038 0.4604 0.039 Uiso 1 1 calc R . .
C232 C 0.1638(4) 0.02495(18) 0.4182(2) 0.0415(13) Uani 1 1 d . . .
H23C H 0.1152 0.0018 0.3905 0.050 Uiso 1 1 calc R . .
H23D H 0.2282 0.0323 0.3964 0.050 Uiso 1 1 calc R . .
C233 C 0.1934(5) -0.0081(2) 0.4771(3) 0.0635(18) Uani 1 1 d . . .
H23E H 0.2278 -0.0437 0.4667 0.095 Uiso 1 1 calc R . .
H23F H 0.1296 -0.0165 0.4983 0.095 Uiso 1 1 calc R . .
H23G H 0.2420 0.0145 0.5046 0.095 Uiso 1 1 calc R . .
N240 N 0.3144(3) 0.29122(14) 0.39218(17) 0.0301(9) Uani 1 1 d . . .
H240 H 0.2683 0.3101 0.4127 0.036 Uiso 1 1 calc R . .
C241 C 0.4108(4) 0.3216(2) 0.3787(2) 0.0458(14) Uani 1 1 d . . .
H24A H 0.4068 0.3335 0.3346 0.055 Uiso 1 1 calc R . .
H24B H 0.4732 0.2968 0.3868 0.055 Uiso 1 1 calc R . .
C242 C 0.4204(5) 0.3762(2) 0.4232(5) 0.119(4) Uani 1 1 d . . .
H24C H 0.3615 0.4026 0.4116 0.143 Uiso 1 1 calc R . .
H24D H 0.4144 0.3642 0.4667 0.143 Uiso 1 1 calc R . .
C243 C 0.5170(8) 0.4047(3) 0.4189(5) 0.146(4) Uani 1 1 d . . .
H24E H 0.5215 0.4367 0.4480 0.219 Uiso 1 1 calc R . .
H24F H 0.5212 0.4189 0.3764 0.219 Uiso 1 1 calc R . .
H24G H 0.5755 0.3784 0.4292 0.219 Uiso 1 1 calc R . .
N250 N 0.1298(3) 0.26864(14) 0.21662(16) 0.0271(8) Uani 1 1 d . . .
H250 H 0.1255 0.2674 0.1758 0.033 Uiso 1 1 calc R . .
C251 C 0.1138(4) 0.32228(18) 0.2478(2) 0.0344(12) Uani 1 1 d . . .
H25A H 0.1148 0.3153 0.2931 0.041 Uiso 1 1 calc R . .
H25B H 0.0430 0.3371 0.2338 0.041 Uiso 1 1 calc R . .
C252 C 0.1953(4) 0.3669(2) 0.2362(2) 0.0423(13) Uani 1 1 d . . .
H25C H 0.2666 0.3499 0.2431 0.051 Uiso 1 1 calc R . .
H25D H 0.1902 0.3980 0.2666 0.051 Uiso 1 1 calc R . .
C253 C 0.1831(4) 0.3919(2) 0.1706(3) 0.0532(15) Uani 1 1 d . . .
H25E H 0.2392 0.4198 0.1657 0.080 Uiso 1 1 calc R . .
H25F H 0.1142 0.4105 0.1640 0.080 Uiso 1 1 calc R . .
H25G H 0.1882 0.3614 0.1400 0.080 Uiso 1 1 calc R . .
N260 N -0.0224(3) 0.20093(14) 0.41119(16) 0.0253(8) Uani 1 1 d . . .
H260 H -0.0147 0.2299 0.4368 0.030 Uiso 1 1 calc R . .
C261 C -0.1250(3) 0.17028(19) 0.4053(2) 0.0303(11) Uani 1 1 d . . .
H26A H -0.1123 0.1299 0.3954 0.036 Uiso 1 1 calc R . .
H26B H -0.1702 0.1868 0.3705 0.036 Uiso 1 1 calc R . .
C262 C -0.1820(3) 0.1737(2) 0.4637(2) 0.0341(11) Uani 1 1 d . . .
H26C H -0.1919 0.2140 0.4749 0.041 Uiso 1 1 calc R . .
H26D H -0.1388 0.1553 0.4982 0.041 Uiso 1 1 calc R . .
C263 C -0.2893(3) 0.1445(2) 0.4553(2) 0.0382(12) Uani 1 1 d . . .
H26E H -0.3249 0.1474 0.4939 0.057 Uiso 1 1 calc R . .
H26F H -0.2795 0.1045 0.4450 0.057 Uiso 1 1 calc R . .
H26G H -0.3325 0.1631 0.4216 0.057 Uiso 1 1 calc R . .
Cl1 Cl 0.84589(10) 0.03072(5) 0.30986(6) 0.0440(3) Uani 1 1 d . . .
O1 O 0.7528(3) 0.04286(17) 0.34329(19) 0.0693(12) Uani 1 1 d . . .
O2 O 0.8698(3) 0.08210(14) 0.27880(18) 0.0546(10) Uani 1 1 d . . .
O3 O 0.9278(4) 0.01579(16) 0.3538(2) 0.0945(17) Uani 1 1 d . . .
O4 O 0.8215(3) -0.01327(15) 0.26710(19) 0.0694(12) Uani 1 1 d . . .
Cl2 Cl 0.07116(10) 0.37738(5) 0.42717(6) 0.0416(3) Uani 1 1 d . . .
O5 O 0.0066(4) 0.33089(16) 0.4090(3) 0.0992(18) Uani 1 1 d . . .
O6 O 0.0103(3) 0.42684(15) 0.4320(2) 0.0755(13) Uani 1 1 d . . .
O7 O 0.1498(4) 0.38674(18) 0.3847(2) 0.0863(15) Uani 1 1 d . . .
O8 O 0.1253(4) 0.3640(2) 0.4842(2) 0.1017(18) Uani 1 1 d . . .
Cl3 Cl 0.60367(9) 0.26701(5) 0.53718(5) 0.0358(3) Uani 1 1 d . . .
O9 O 0.5152(3) 0.23167(17) 0.51886(17) 0.0631(11) Uani 1 1 d . . .
O10 O 0.6502(3) 0.28554(16) 0.48325(17) 0.0594(11) Uani 1 1 d . . .
O11 O 0.6786(3) 0.23522(14) 0.57655(16) 0.0496(9) Uani 1 1 d . . .
O12 O 0.5680(3) 0.31431(15) 0.57191(16) 0.0520(10) Uani 1 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'
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
N22 Ag1 N11 174.64(12) 1_655 . ?
N13 Ag2 N21 177.10(13) . . ?
N12 Ag3 N23 177.17(12) 4_566 . ?
N110 P11 N13 107.03(18) . . ?
N110 P11 N11 116.83(18) . . ?
N13 P11 N11 110.98(17) . . ?
N110 P11 N140 102.75(19) . . ?
N13 P11 N140 112.91(18) . . ?
N11 P11 N140 106.21(18) . . ?
P12 N11 P11 124.0(2) . . ?
P12 N11 Ag1 115.79(17) . . ?
P11 N11 Ag1 119.06(18) . . ?
N150 P12 N11 106.04(18) . . ?
N150 P12 N120 107.67(18) . . ?
N11 P12 N120 112.15(18) . . ?
N150 P12 N12 111.03(17) . . ?
N11 P12 N12 111.74(17) . . ?
N120 P12 N12 108.16(18) . . ?
P12 N12 P13 123.0(2) . . ?
P12 N12 Ag3 112.38(16) . 4_665 ?
P13 N12 Ag3 120.97(18) . 4_665 ?
N160 P13 N130 104.7(2) . . ?
N160 P13 N13 105.42(19) . . ?
N130 P13 N13 114.41(19) . . ?
N160 P13 N12 114.07(18) . . ?
N130 P13 N12 107.34(19) . . ?
N13 P13 N12 110.93(18) . . ?
P13 N13 P11 128.3(2) . . ?
P13 N13 Ag2 119.14(18) . . ?
P11 N13 Ag2 112.49(17) . . ?
C111 N110 P11 120.6(3) . . ?
N110 C111 C112 113.5(4) . . ?
C111 C112 C113 113.3(5) . . ?
C121 N120 P12 125.6(3) . . ?
N120 C121 C122 110.4(4) . . ?
C123 C122 C12' 94.0(11) . . ?
C123 C122 C121 124.5(8) . . ?
C12' C122 C121 119.5(10) . . ?
C131 N130 P13 128.1(4) . . ?
C132 C131 N130 115.5(5) . . ?
C131 C132 C133 118.1(5) . . ?
C141 N140 P11 119.8(3) . . ?
C142 C141 N140 114.2(4) . . ?
C141 C142 C143 110.5(5) . . ?
C151 N150 P12 125.3(3) . . ?
N150 C151 C152 115.5(4) . . ?
C151 C152 C153 113.5(4) . . ?
C161 N160 P13 125.6(4) . . ?
N160 C161 C162 113.8(4) . . ?
C163 C162 C161 114.4(5) . . ?
N240 P21 N23 105.22(18) . . ?
N240 P21 N210 102.42(19) . . ?
N23 P21 N210 117.06(18) . . ?
N240 P21 N21 117.48(18) . . ?
N23 P21 N21 109.78(17) . . ?
N210 P21 N21 105.21(18) . . ?
P21 N21 P22 127.7(2) . . ?
P21 N21 Ag2 118.75(18) . . ?
P22 N21 Ag2 112.19(17) . . ?
N22 P22 N250 107.53(17) . . ?
N22 P22 N220 115.49(17) . . ?
N250 P22 N220 103.14(18) . . ?
N22 P22 N21 109.57(17) . . ?
N250 P22 N21 115.19(18) . . ?
N220 P22 N21 106.04(17) . . ?
P22 N22 P23 122.6(2) . . ?
P22 N22 Ag1 116.56(18) . 1_455 ?
P23 N22 Ag1 120.26(17) . 1_455 ?
N23 P23 N22 112.76(17) . . ?
N23 P23 N230 111.40(18) . . ?
N22 P23 N230 106.69(18) . . ?
N23 P23 N260 104.55(17) . . ?
N22 P23 N260 112.49(18) . . ?
N230 P23 N260 108.99(17) . . ?
P23 N23 P21 122.9(2) . . ?
P23 N23 Ag3 114.64(16) . . ?
P21 N23 Ag3 122.34(18) . . ?
C211 N210 P21 126.0(3) . . ?
N210 C211 C212 114.7(4) . . ?
C211 C212 C213 112.1(4) . . ?
C221 N220 P22 121.1(3) . . ?
N220 C221 C222 113.1(4) . . ?
C221 C222 C223 110.9(5) . . ?
C231 N230 P23 123.2(3) . . ?
N230 C231 C232 110.9(4) . . ?
C233 C232 C231 112.2(4) . . ?
C241 N240 P21 126.5(3) . . ?
N240 C241 C242 107.5(4) . . ?
C243 C242 C241 111.8(7) . . ?
C251 N250 P22 120.9(3) . . ?
N250 C251 C252 113.9(4) . . ?
C251 C252 C253 113.5(4) . . ?
C261 N260 P23 122.0(3) . . ?
N260 C261 C262 112.2(4) . . ?
C261 C262 C263 111.1(4) . . ?
O3 Cl1 O4 112.1(3) . . ?
O3 Cl1 O2 111.0(3) . . ?
O4 Cl1 O2 111.1(2) . . ?
O3 Cl1 O1 107.6(3) . . ?
O4 Cl1 O1 108.8(3) . . ?
O2 Cl1 O1 106.0(2) . . ?
O8 Cl2 O5 107.9(3) . . ?
O8 Cl2 O6 110.9(3) . . ?
O5 Cl2 O6 110.7(3) . . ?
O8 Cl2 O7 106.3(3) . . ?
O5 Cl2 O7 111.3(3) . . ?
O6 Cl2 O7 109.6(2) . . ?
O10 Cl3 O9 108.7(2) . . ?
O10 Cl3 O12 111.0(2) . . ?
O9 Cl3 O12 108.9(2) . . ?
O10 Cl3 O11 110.4(2) . . ?
O9 Cl3 O11 109.3(2) . . ?
O12 Cl3 O11 108.5(2) . . ?
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 N22 2.150(3) 1_655 ?
Ag1 N11 2.157(3) . ?
Ag2 N13 2.128(3) . ?
Ag2 N21 2.128(3) . ?
Ag3 N12 2.156(3) 4_566 ?
Ag3 N23 2.164(3) . ?
P11 N110 1.620(3) . ?
P11 N13 1.625(3) . ?
P11 N11 1.628(3) . ?
P11 N140 1.640(4) . ?
N11 P12 1.614(3) . ?
P12 N150 1.612(3) . ?
P12 N120 1.615(3) . ?
P12 N12 1.617(3) . ?
N12 P13 1.623(3) . ?
N12 Ag3 2.156(3) 4_665 ?
P13 N160 1.614(4) . ?
P13 N130 1.616(4) . ?
P13 N13 1.617(3) . ?
N110 C111 1.469(6) . ?
C111 C112 1.483(6) . ?
C112 C113 1.502(7) . ?
N120 C121 1.471(5) . ?
C121 C122 1.510(7) . ?
C122 C123 1.272(12) . ?
C122 C12' 1.418(17) . ?
N130 C131 1.462(6) . ?
C131 C132 1.449(8) . ?
C132 C133 1.467(8) . ?
N140 C141 1.488(5) . ?
C141 C142 1.482(7) . ?
C142 C143 1.517(7) . ?
N150 C151 1.457(5) . ?
C151 C152 1.479(6) . ?
C152 C153 1.520(6) . ?
N160 C161 1.467(6) . ?
C161 C162 1.521(8) . ?
C162 C163 1.493(7) . ?
P21 N240 1.618(3) . ?
P21 N23 1.618(3) . ?
P21 N210 1.621(3) . ?
P21 N21 1.626(3) . ?
N21 P22 1.636(3) . ?
P22 N22 1.615(3) . ?
P22 N250 1.618(3) . ?
P22 N220 1.627(3) . ?
N22 P23 1.624(3) . ?
N22 Ag1 2.150(3) 1_455 ?
P23 N23 1.609(3) . ?
P23 N230 1.627(3) . ?
P23 N260 1.629(3) . ?
N210 C211 1.472(5) . ?
C211 C212 1.487(6) . ?
C212 C213 1.516(6) . ?
N220 C221 1.472(5) . ?
C221 C222 1.495(6) . ?
C222 C223 1.540(7) . ?
N230 C231 1.476(5) . ?
C231 C232 1.520(6) . ?
C232 C233 1.513(7) . ?
N240 C241 1.466(5) . ?
C241 C242 1.604(9) . ?
C242 C243 1.407(10) . ?
N250 C251 1.453(5) . ?
C251 C252 1.509(6) . ?
C252 C253 1.530(7) . ?
N260 C261 1.487(5) . ?
C261 C262 1.503(6) . ?
C262 C263 1.523(6) . ?
Cl1 O3 1.398(4) . ?
Cl1 O4 1.406(4) . ?
Cl1 O2 1.427(3) . ?
Cl1 O1 1.459(4) . ?
Cl2 O8 1.401(4) . ?
Cl2 O5 1.406(4) . ?
Cl2 O6 1.406(4) . ?
Cl2 O7 1.423(4) . ?
Cl3 O10 1.414(3) . ?
Cl3 O9 1.429(3) . ?
Cl3 O12 1.435(3) . ?
Cl3 O11 1.437(3) . ?
