#------------------------------------------------------------------------------
#$Date: 2016-06-17 01:44:05 +0300 (Fri, 17 Jun 2016) $
#$Revision: 183564 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/50/4125037.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_4125037
loop_
_publ_author_name
'Hill, Joshua A.'
'Thompson, Amber L.'
'Goodwin, Andrew L.'
_publ_section_title
;
 Dicyanometallates as Model Extended Frameworks.
;
_journal_issue                   18
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5886
_journal_page_last               5896
_journal_paper_doi               10.1021/jacs.5b13446
_journal_volume                  138
_journal_year                    2016
_chemical_formula_moiety         'C14 H12 Ag5 Cd2 N10 O2, C36 H30 N P2'
_chemical_formula_sum            'C50 H42 Ag5 Cd2 N11 O2 P2'
_chemical_formula_weight         1655.04
_chemical_melting_point          ?
_chemical_name_systematic
;
bis(triphenylphosphoranylidene)ammonium cadmium dicyanoargentate ethanolate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_audit_creation_date             2015-12-09
_audit_creation_method           CRYSTALS_ver_14.61
_cell_angle_alpha                90
_cell_angle_beta                 99.310(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   28.5577(8)
_cell_length_b                   15.8350(4)
_cell_length_c                   13.9531(4)
_cell_measurement_reflns_used    12171
_cell_measurement_temperature    282
_cell_measurement_theta_max      76
_cell_measurement_theta_min      4
_cell_volume                     6226.6(3)
_computing_cell_refinement       'CrysAlisPro, (Agilent, 2011)'
_computing_data_collection       'SuperNova, (Oxford Diffraction, 2010)'
_computing_data_reduction        CrysAlisPro
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      282
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       Area
_diffrn_measurement_device_type  'Oxford Diffraction SuperNova'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.031
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            33255
_diffrn_reflns_theta_full        75.175
_diffrn_reflns_theta_max         76.709
_diffrn_reflns_theta_min         3.136
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    18.499
_exptl_absorpt_correction_T_max  0.555
_exptl_absorpt_correction_T_min  0.133
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
; 
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Numerical absorption correction based on gaussian integration over a 
multifaceted crystal model
Empirical absorption correction using spherical harmonics, implemented
in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3183.995
_exptl_crystal_size_max          0.228
_exptl_crystal_size_mid          0.092
_exptl_crystal_size_min          0.036
_refine_diff_density_max         0.55
_refine_diff_density_min         -1.62
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.9580
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     547
_refine_ls_number_reflns         6506
_refine_ls_number_restraints     1808
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0400
_refine_ls_shift/su_max          0.0069040
_refine_ls_shift/su_mean         0.0001264
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.07P)² +11.24P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1212
_refine_ls_wR_factor_gt          0.1148
_refine_ls_wR_factor_ref         0.1212
_reflns_limit_h_max              35
_reflns_limit_h_min              -35
_reflns_limit_k_max              19
_reflns_limit_k_min              0
_reflns_limit_l_max              17
_reflns_limit_l_min              0
_reflns_number_gt                5585
_reflns_number_total             6506
_reflns_threshold_expression     I>2.0σ(I)
_oxford_diffrn_Wilson_B_factor   0.00
_oxford_diffrn_Wilson_scale      0.00
_oxford_refine_ls_r_factor_ref   0.0452
_oxford_refine_ls_scale          1.006(3)
_oxford_reflns_number_all        6506
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title 081jah15
_cod_data_source_file            ja5b13446_si_001.cif
_cod_data_source_block           3c
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value 'not measured' was changed to '?' -
the value is undefined or not given.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 4125033--4125042.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4125037
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,-z
-x,y,-z+1/2
x,-y,z+1/2
-x+1/2,y+1/2,-z+1/2
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cd1 Cd 0.684827(10) 0.245678(15) 0.23742(2) 0.0658 1.0000 Uani . . . . .
Ag2 Ag 0.5000 0.20255(5) 0.2500 0.1033 1.0000 Uani S T . . .
Ag3 Ag 0.679015(18) 0.47002(3) 0.52333(3) 0.1034 1.0000 Uani . . . . .
Ag4 Ag 0.789692(18) 0.53548(3) 0.55032(3) 0.1039 1.0000 Uani . . . . .
C5 C 0.5689(2) 0.2043(4) 0.2283(4) 0.0975 1.0000 Uani . . . . .
N6 N 0.60679(15) 0.2090(3) 0.2199(4) 0.1014 1.0000 Uani . . . . .
C7 C 0.6788(2) 0.3698(4) 0.4317(5) 0.1016 1.0000 Uani . . . . .
N8 N 0.6802(2) 0.3181(3) 0.3767(4) 0.1144 1.0000 Uani . . . . .
C9 C 0.6753(2) 0.5736(3) 0.6084(5) 0.0996 1.0000 Uani . . . . .
N10 N 0.6749(2) 0.6319(3) 0.6539(4) 0.1124 1.0000 Uani . . . . .
C11 C 0.79619(18) 0.6317(4) 0.4562(4) 0.0904 1.0000 Uani . . . . .
N12 N 0.80004(16) 0.6802(3) 0.4005(3) 0.0907 1.0000 Uani . . . . .
C13 C 0.7885(2) 0.4311(4) 0.6366(5) 0.1063 1.0000 Uani . . . . .
N14 N 0.7895(2) 0.3732(3) 0.6804(4) 0.1156 1.0000 Uani . . . . .
P15 P 0.53537(4) 0.74174(7) 0.34608(8) 0.0707 1.0000 Uani . . . . .
N16 N 0.5000 0.7379(6) 0.2500 0.1167 1.0000 Uani S T . . .
C20 C 0.5888(2) 0.6856(4) 0.3348(4) 0.0704 0.662(3) Uani D U P 2 1
C21 C 0.58893(19) 0.6168(5) 0.2743(5) 0.0944 0.662(3) Uani D U P 2 1
C22 C 0.6308(2) 0.5748(4) 0.2693(4) 0.1068 0.662(3) Uani D U P 2 1
C23 C 0.67271(19) 0.6025(4) 0.3238(5) 0.1065 0.662(3) Uani D U P 2 1
C24 C 0.67261(19) 0.6715(4) 0.3841(5) 0.1013 0.662(3) Uani D U P 2 1
C25 C 0.6306(3) 0.7128(4) 0.3901(4) 0.0817 0.662(3) Uani D U P 2 1
C30 C 0.5511(4) 0.8458(7) 0.3803(12) 0.0945 0.353(3) Uani D U P 3 1
C31 C 0.5697(4) 0.8898(11) 0.3098(9) 0.1075 0.353(3) Uani D U P 3 1
C32 C 0.5808(3) 0.9742(10) 0.3230(10) 0.1240 0.353(3) Uani D U P 3 1
C33 C 0.5718(3) 1.0153(7) 0.4052(12) 0.1294 0.353(3) Uani D U P 3 1
C34 C 0.5536(3) 0.9712(9) 0.4761(9) 0.1217 0.353(3) Uani D U P 3 1
C35 C 0.5427(3) 0.8867(9) 0.4632(10) 0.1083 0.353(3) Uani D U P 3 1
C40 C 0.5094(3) 0.6993(5) 0.4394(5) 0.0887 0.535(3) Uani D U P 4 1
C41 C 0.5287(2) 0.6333(5) 0.4981(6) 0.1072 0.535(3) Uani D U P 4 1
C42 C 0.5038(3) 0.5991(5) 0.5663(6) 0.1237 0.535(3) Uani D U P 4 1
C43 C 0.4597(3) 0.6316(5) 0.5765(5) 0.1253 0.535(3) Uani D U P 4 1
C44 C 0.4406(2) 0.6984(5) 0.5187(6) 0.1190 0.535(3) Uani D U P 4 1
C45 C 0.4656(3) 0.7328(4) 0.4507(5) 0.1027 0.535(3) Uani D U P 4 1
C220 C 0.5878(5) 0.6831(9) 0.3355(8) 0.0825 0.338(3) Uani D U P 2 2
C221 C 0.5785(3) 0.6061(10) 0.2902(7) 0.0946 0.338(3) Uani D U P 2 2
C222 C 0.6154(4) 0.5557(7) 0.2717(7) 0.1005 0.338(3) Uani D U P 2 2
C223 C 0.6617(4) 0.5822(7) 0.2989(7) 0.1018 0.338(3) Uani D U P 2 2
C224 C 0.6710(4) 0.6591(8) 0.3444(7) 0.0995 0.338(3) Uani D U P 2 2
C225 C 0.6340(6) 0.7093(7) 0.3632(6) 0.0884 0.338(3) Uani D U P 2 2
C230 C 0.5522(2) 0.8498(4) 0.3786(6) 0.0780 0.647(3) Uani D U P 3 2
C231 C 0.5582(2) 0.9071(5) 0.3071(5) 0.1035 0.647(3) Uani D U P 3 2
C232 C 0.5732(3) 0.9882(5) 0.3320(6) 0.1280 0.647(3) Uani D U P 3 2
C233 C 0.5831(2) 1.0114(4) 0.4283(7) 0.1351 0.647(3) Uani D U P 3 2
C234 C 0.5766(2) 0.9544(5) 0.4997(5) 0.1241 0.647(3) Uani D U P 3 2
C235 C 0.5620(2) 0.8731(4) 0.4749(5) 0.1020 0.647(3) Uani D U P 3 2
C240 C 0.5119(3) 0.6908(4) 0.4484(5) 0.0826 0.465(3) Uani D U P 4 2
C241 C 0.5433(3) 0.6488(5) 0.5188(7) 0.0953 0.465(3) Uani D U P 4 2
C242 C 0.5268(3) 0.6102(5) 0.5962(6) 0.1146 0.465(3) Uani D U P 4 2
C243 C 0.4790(4) 0.6145(5) 0.6037(6) 0.1233 0.465(3) Uani D U P 4 2
C244 C 0.4478(3) 0.6578(6) 0.5343(7) 0.1191 0.465(3) Uani D U P 4 2
C245 C 0.4643(3) 0.6965(5) 0.4568(6) 0.1016 0.465(3) Uani D U P 4 2
O501 O 0.7730(10) 0.2690(16) 0.321(2) 0.1497 0.237(2) Uani D U P . 2
C502 C 0.7945(14) 0.342(2) 0.2853(16) 0.1589 0.237(2) Uani D U P . 2
C503 C 0.8221(13) 0.3943(18) 0.363(2) 0.1662 0.237(2) Uani D U P . 2
O511 O 0.7656(8) 0.3037(13) 0.2601(17) 0.1505 0.377(2) Uani D U P . 1
C512 C 0.7922(8) 0.3601(11) 0.3287(19) 0.1613 0.377(2) Uani D U P . 1
C513 C 0.8349(8) 0.3202(16) 0.3872(19) 0.1747 0.377(2) Uani D U P . 1
O521 O 0.7677(7) 0.2791(12) 0.2720(16) 0.1390 0.386(2) Uani D U P . 3
C522 C 0.7996(7) 0.3028(15) 0.3577(12) 0.1540 0.386(2) Uani D U P . 3
C523 C 0.8397(7) 0.3570(16) 0.3379(18) 0.1649 0.386(2) Uani D U P . 3
H211 H 0.5602 0.5982 0.2361 0.1129 0.6556 Uiso DR . . 2 1
H221 H 0.6309 0.5268 0.2284 0.1274 0.6556 Uiso DR . . 2 1
H231 H 0.7016 0.5741 0.3197 0.1269 0.6556 Uiso DR . . 2 1
H241 H 0.7014 0.6906 0.4216 0.1211 0.6556 Uiso DR . . 2 1
H251 H 0.6305 0.7598 0.4323 0.0980 0.6556 Uiso DR . . 2 1
H311 H 0.5748 0.8618 0.2522 0.1285 0.3557 Uiso DR . . 3 1
H321 H 0.5945 1.0039 0.2752 0.1481 0.3557 Uiso DR . . 3 1
H331 H 0.5783 1.0740 0.4130 0.1545 0.3557 Uiso DR . . 3 1
H341 H 0.5486 0.9992 0.5339 0.1458 0.3557 Uiso DR . . 3 1
H351 H 0.5296 0.8568 0.5115 0.1298 0.3557 Uiso DR . . 3 1
H411 H 0.5590 0.6116 0.4916 0.1284 0.5367 Uiso DR . . 4 1
H421 H 0.5169 0.5535 0.6061 0.1483 0.5367 Uiso DR . . 4 1
H431 H 0.4426 0.6081 0.6232 0.1499 0.5367 Uiso DR . . 4 1
H441 H 0.4104 0.7205 0.5256 0.1425 0.5367 Uiso DR . . 4 1
H451 H 0.4528 0.7791 0.4119 0.1231 0.5367 Uiso DR . . 4 1
H2211 H 0.5466 0.5877 0.2716 0.1133 0.3444 Uiso DR . . 2 2
H2221 H 0.6090 0.5029 0.2400 0.1204 0.3444 Uiso DR . . 2 2
H2231 H 0.6871 0.5475 0.2864 0.1217 0.3444 Uiso DR . . 2 2
H2241 H 0.7028 0.6775 0.3631 0.1192 0.3444 Uiso DR . . 2 2
H2251 H 0.6404 0.7619 0.3954 0.1060 0.3444 Uiso DR . . 2 2
H2311 H 0.5520 0.8909 0.2408 0.1241 0.6443 Uiso DR . . 3 2
H2321 H 0.5768 1.0281 0.2828 0.1531 0.6443 Uiso DR . . 3 2
H2331 H 0.5944 1.0666 0.4456 0.1615 0.6443 Uiso DR . . 3 2
H2341 H 0.5823 0.9709 0.5660 0.1484 0.6443 Uiso DR . . 3 2
H2351 H 0.5586 0.8332 0.5242 0.1222 0.6443 Uiso DR . . 3 2
H2411 H 0.5761 0.6465 0.5140 0.1144 0.4633 Uiso DR . . 4 2
H2421 H 0.5482 0.5808 0.6439 0.1374 0.4633 Uiso DR . . 4 2
H2431 H 0.4676 0.5878 0.6565 0.1476 0.4633 Uiso DR . . 4 2
H2441 H 0.4151 0.6610 0.5396 0.1425 0.4633 Uiso DR . . 4 2
H2451 H 0.4430 0.7267 0.4097 0.1220 0.4633 Uiso DR . . 4 2
H5021 H 0.8158 0.3208 0.2452 0.1739 0.237(2) Uiso DR . P . 2
H5022 H 0.7710 0.3756 0.2476 0.1739 0.237(2) Uiso DR . P . 2
H5031 H 0.8364 0.4397 0.3343 0.1804 0.237(2) Uiso DR . P . 2
H5032 H 0.8460 0.3613 0.4013 0.1804 0.237(2) Uiso DR . P . 2
H5033 H 0.8011 0.4161 0.4037 0.1804 0.237(2) Uiso DR . P . 2
H5121 H 0.8023 0.4075 0.2957 0.1787 0.377(2) Uiso DR . P . 1
H5122 H 0.7717 0.3784 0.3718 0.1787 0.377(2) Uiso DR . P . 1
H5131 H 0.8506 0.3599 0.4324 0.1922 0.377(2) Uiso DR . P . 1
H5132 H 0.8559 0.3021 0.3451 0.1922 0.377(2) Uiso DR . P . 1
H5133 H 0.8253 0.2730 0.4213 0.1922 0.377(2) Uiso DR . P . 1
H5221 H 0.8122 0.2534 0.3910 0.1713 0.386(2) Uiso DR . P . 3
H5222 H 0.7821 0.3341 0.3982 0.1713 0.386(2) Uiso DR . P . 3
H5231 H 0.8594 0.3716 0.3972 0.1822 0.386(2) Uiso DR . P . 3
H5232 H 0.8578 0.3264 0.2980 0.1822 0.386(2) Uiso DR . P . 3
H5233 H 0.8277 0.4070 0.3052 0.1822 0.386(2) Uiso DR . P . 3
H5011 H 0.7883 0.2339 0.3722 0.1660 0.237(2) Uiso DR . P . 2
H5111 H 0.7831 0.2863 0.2112 0.1670 0.377(2) Uiso DR . P . 1
H5211 H 0.7830 0.2738 0.2167 0.1567 0.386(2) Uiso DR . P . 3
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
Cd 0.1185 4.6533 19.2214 0.5946 17.6444 6.9089 4.4610 24.7008 1.6029 87.4825
5.0694 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Ag 0.1306 4.2820 19.2808 0.6446 16.6885 7.4726 4.8045 24.6605 1.0463 99.8156
5.1790 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.2955 0.4335 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
N 0.0311 0.0180 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
C 0.0181 0.0091 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0492 0.0322 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
-1 10 0 0.0436 -0.9991 10.0001 0.0001 0.2348 0.7847 0.5274
4 -7 -7 0.0728 3.9992 -7.0001 -7.0000 -0.0261 -0.1554 -1.0217
-2 -7 7 0.0950 -2.0005 -7.0000 6.9999 -0.2715 -0.9532 0.2811
2 7 -7 0.0950 2.0005 7.0000 -6.9999 0.2715 0.9532 -0.2811
18 0 0 0.0144 18.0001 -0.0001 -0.0000 0.9341 -0.3034 -0.0657
-18 0 0 0.0214 -18.0001 0.0001 0.0000 -0.9341 0.3034 0.0657
-5 5 8 0.0919 -4.9994 5.0001 8.0000 -0.0784 -0.0455 1.0121
1 -10 0 0.0486 0.9991 -10.0001 -0.0001 -0.2348 -0.7847 -0.5274
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N12 7_645 Cd1 N14 4_656 87.7(2) yes
N12 7_645 Cd1 N10 6_564 88.86(18) yes
N14 4_656 Cd1 N10 6_564 168.4(2) yes
N12 7_645 Cd1 N6 . 96.24(18) yes
N14 4_656 Cd1 N6 . 94.2(2) yes
N10 6_564 Cd1 N6 . 97.2(2) yes
N12 7_645 Cd1 N8 . 172.08(18) yes
N14 4_656 Cd1 N8 . 92.6(2) yes
N10 6_564 Cd1 N8 . 89.3(2) yes
N6 . Cd1 N8 . 91.6(2) yes
N12 7_645 Cd1 O511 . 88.7(6) yes
N14 4_656 Cd1 O511 . 91.5(5) yes
N10 6_564 Cd1 O511 . 77.4(5) yes
N6 . Cd1 O511 . 172.6(5) yes
N8 . Cd1 O511 . 83.4(6) yes
C5 5_655 Ag2 C5 . 178.5(4) yes
C7 . Ag3 C9 . 176.0(3) yes
C11 . Ag4 C13 . 173.3(3) yes
Ag2 . C5 N6 . 176.0(6) yes
Cd1 . N6 C5 . 163.7(5) yes
Ag3 . C7 N8 . 175.1(6) yes
Cd1 . N8 C7 . 163.5(6) yes
Ag3 . C9 N10 . 177.1(6) yes
Cd1 6_565 N10 C9 . 171.0(6) yes
Ag4 . C11 N12 . 175.4(6) yes
Cd1 7_655 N12 C11 . 162.9(5) yes
Ag4 . C13 N14 . 176.3(7) yes
Cd1 4_656 N14 C13 . 162.4(6) yes
N16 . P15 C20 . 110.6(3) yes
N16 . P15 C30 . 112.1(5) yes
C20 . P15 C30 . 107.8(4) yes
N16 . P15 C40 . 109.7(3) yes
C20 . P15 C40 . 110.3(4) yes
C30 . P15 C40 . 106.3(6) yes
N16 . P15 C30 . 112.1(5) yes
N16 . P15 C40 . 109.7(3) yes
C30 . P15 C40 . 106.3(6) yes
N16 . P15 C220 . 110.3(5) yes
C30 . P15 C220 . 109.3(7) yes
C40 . P15 C220 . 109.1(4) yes
N16 . P15 C20 . 110.6(3) yes
N16 . P15 C40 . 109.7(3) yes
C20 . P15 C40 . 110.3(4) yes
N16 . P15 C230 . 111.3(4) yes
C20 . P15 C230 . 107.1(3) yes
C40 . P15 C230 . 107.8(3) yes
N16 . P15 C40 . 109.7(3) yes
N16 . P15 C220 . 110.3(5) yes
C40 . P15 C220 . 109.1(4) yes
N16 . P15 C230 . 111.3(4) yes
C40 . P15 C230 . 107.8(3) yes
C220 . P15 C230 . 108.6(6) yes
N16 . P15 C20 . 110.6(3) yes
N16 . P15 C30 . 112.1(5) yes
C20 . P15 C30 . 107.8(4) yes
N16 . P15 C240 . 112.6(3) yes
C20 . P15 C240 . 105.6(4) yes
C30 . P15 C240 . 107.9(6) yes
N16 . P15 C30 . 112.1(5) yes
N16 . P15 C220 . 110.3(5) yes
C30 . P15 C220 . 109.3(7) yes
N16 . P15 C240 . 112.6(3) yes
C30 . P15 C240 . 107.9(6) yes
C220 . P15 C240 . 104.4(4) yes
N16 . P15 C20 . 110.6(3) yes
N16 . P15 C230 . 111.3(4) yes
C20 . P15 C230 . 107.1(3) yes
N16 . P15 C240 . 112.6(3) yes
C20 . P15 C240 . 105.6(4) yes
C230 . P15 C240 . 109.3(3) yes
N16 . P15 C220 . 110.3(5) yes
N16 . P15 C230 . 111.3(4) yes
C220 . P15 C230 . 108.6(6) yes
N16 . P15 C240 . 112.6(3) yes
C220 . P15 C240 . 104.4(4) yes
C230 . P15 C240 . 109.3(3) yes
P15 . N16 P15 5_655 175.5(7) yes
P15 . C20 C21 . 122.1(4) yes
P15 . C20 C25 . 117.9(4) yes
C21 . C20 C25 . 119.998(4) yes
C20 . C21 C22 . 119.998(4) yes
C20 . C21 H211 . 120.1 no
C22 . C21 H211 . 119.9 no
C21 . C22 C23 . 119.998(4) yes
C21 . C22 H221 . 120.1 no
C23 . C22 H221 . 119.9 no
C22 . C23 C24 . 119.998(4) yes
C22 . C23 H231 . 120.1 no
C24 . C23 H231 . 119.9 no
C23 . C24 C25 . 119.998(4) yes
C23 . C24 H241 . 120.1 no
C25 . C24 H241 . 119.9 no
C20 . C25 C24 . 119.998(4) yes
C20 . C25 H251 . 119.9 no
C24 . C25 H251 . 120.1 no
P15 . C30 C31 . 113.0(10) yes
P15 . C30 C35 . 126.8(10) yes
C31 . C30 C35 . 119.991(4) yes
C30 . C31 C32 . 119.991(4) yes
C30 . C31 H311 . 119.9 no
C32 . C31 H311 . 120.1 no
C31 . C32 C33 . 119.991(4) yes
C31 . C32 H321 . 119.9 no
C33 . C32 H321 . 120.1 no
C32 . C33 C34 . 119.991(4) yes
C32 . C33 H331 . 119.9 no
C34 . C33 H331 . 120.1 no
C33 . C34 C35 . 119.991(4) yes
C33 . C34 H341 . 119.9 no
C35 . C34 H341 . 120.1 no
C34 . C35 C30 . 119.991(4) yes
C34 . C35 H351 . 119.9 no
C30 . C35 H351 . 120.1 no
P15 . C40 C41 . 123.8(6) yes
P15 . C40 C45 . 116.1(6) yes
C41 . C40 C45 . 119.995(4) yes
C40 . C41 C42 . 119.995(4) yes
C40 . C41 H411 . 120.0 no
C42 . C41 H411 . 120.0 no
C41 . C42 C43 . 119.995(4) yes
C41 . C42 H421 . 120.0 no
C43 . C42 H421 . 120.0 no
C42 . C43 C44 . 119.996(4) yes
C42 . C43 H431 . 120.0 no
C44 . C43 H431 . 120.0 no
C43 . C44 C45 . 119.995(4) yes
C43 . C44 H441 . 120.0 no
C45 . C44 H441 . 120.0 no
C40 . C45 C44 . 119.995(4) yes
C40 . C45 H451 . 120.0 no
C44 . C45 H451 . 120.0 no
P15 . C220 C221 . 113.3(10) yes
P15 . C220 C225 . 126.7(10) yes
C221 . C220 C225 . 119.999(4) yes
C220 . C221 C222 . 119.999(4) yes
C220 . C221 H2211 . 120.1 no
C222 . C221 H2211 . 119.9 no
C221 . C222 C223 . 119.999(4) yes
C221 . C222 H2221 . 120.1 no
C223 . C222 H2221 . 119.9 no
C222 . C223 C224 . 119.999(4) yes
C222 . C223 H2231 . 120.1 no
C224 . C223 H2231 . 119.9 no
C223 . C224 C225 . 119.999(4) yes
C223 . C224 H2241 . 120.1 no
C225 . C224 H2241 . 119.9 no
C224 . C225 C220 . 119.999(4) yes
C224 . C225 H2251 . 120.1 no
C220 . C225 H2251 . 119.9 no
P15 . C230 C231 . 119.9(4) yes
P15 . C230 C235 . 120.0(4) yes
C231 . C230 C235 . 119.991(4) yes
C230 . C231 C232 . 119.991(4) yes
C230 . C231 H2311 . 120.1 no
C232 . C231 H2311 . 119.9 no
C231 . C232 C233 . 119.991(4) yes
C231 . C232 H2321 . 120.1 no
C233 . C232 H2321 . 119.9 no
C232 . C233 C234 . 119.991(4) yes
C232 . C233 H2331 . 120.1 no
C234 . C233 H2331 . 119.9 no
C233 . C234 C235 . 119.991(4) yes
C233 . C234 H2341 . 120.1 no
C235 . C234 H2341 . 119.9 no
C234 . C235 C230 . 119.991(4) yes
C234 . C235 H2351 . 120.1 no
C230 . C235 H2351 . 119.9 no
P15 . C240 C241 . 118.8(6) yes
P15 . C240 C245 . 121.2(6) yes
C241 . C240 C245 . 119.995(4) yes
C240 . C241 C242 . 119.995(4) yes
C240 . C241 H2411 . 120.0 no
C242 . C241 H2411 . 120.1 no
C241 . C242 C243 . 119.995(4) yes
C241 . C242 H2421 . 120.0 no
C243 . C242 H2421 . 120.1 no
C242 . C243 C244 . 119.995(5) yes
C242 . C243 H2431 . 120.0 no
C244 . C243 H2431 . 120.1 no
C243 . C244 C245 . 119.995(4) yes
C243 . C244 H2441 . 120.0 no
C245 . C244 H2441 . 120.1 no
C244 . C245 C240 . 119.995(4) yes
C244 . C245 H2451 . 120.0 no
C240 . C245 H2451 . 120.1 no
Cd1 . O501 C502 . 113(2) yes
Cd1 . O501 H5011 . 122.9 no
C502 . O501 H5011 . 124.0 no
O501 . C502 C503 . 113.500(6) yes
O501 . C502 H5021 . 106.3 no
C503 . C502 H5021 . 108.1 no
O501 . C502 H5022 . 110.1 no
C503 . C502 H5022 . 109.3 no
H5021 . C502 H5022 . 109.5 no
C502 . C503 H5031 . 109.0 no
C502 . C503 H5032 . 110.3 no
H5031 . C503 H5032 . 109.5 no
C502 . C503 H5033 . 109.1 no
H5031 . C503 H5033 . 109.5 no
H5032 . C503 H5033 . 109.5 no
Cd1 . O511 C512 . 135(2) yes
Cd1 . O511 H5111 . 113.1 no
C512 . O511 H5111 . 112.1 no
O511 . C512 C513 . 113.500(6) yes
O511 . C512 H5121 . 109.8 no
C513 . C512 H5121 . 108.3 no
O511 . C512 H5122 . 107.4 no
C513 . C512 H5122 . 108.3 no
H5121 . C512 H5122 . 109.5 no
C512 . C513 H5131 . 109.8 no
C512 . C513 H5132 . 109.3 no
H5131 . C513 H5132 . 109.5 no
C512 . C513 H5133 . 109.3 no
H5131 . C513 H5133 . 109.5 no
H5132 . C513 H5133 . 109.5 no
Cd1 . O521 C522 . 134.4(16) yes
Cd1 . O521 H5211 . 112.7 no
C522 . O521 H5211 . 112.9 no
O521 . C522 C523 . 113.500(6) yes
O521 . C522 H5221 . 109.4 no
C523 . C522 H5221 . 108.7 no
O521 . C522 H5222 . 108.0 no
C523 . C522 H5222 . 107.7 no
H5221 . C522 H5222 . 109.5 no
C522 . C523 H5231 . 110.0 no
C522 . C523 H5232 . 108.7 no
H5231 . C523 H5232 . 109.5 no
C522 . C523 H5233 . 109.7 no
H5231 . C523 H5233 . 109.5 no
H5232 . C523 H5233 . 109.5 no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cd1 N12 7_645 2.289(4) yes
Cd1 N14 4_656 2.263(4) yes
Cd1 N10 6_564 2.257(4) yes
Cd1 N6 . 2.278(4) yes
Cd1 N8 . 2.278(4) yes
Cd1 O511 . 2.46(2) yes
Ag2 C5 5_655 2.038(6) yes
Ag2 C5 . 2.038(6) yes
Ag3 C7 . 2.037(6) yes
Ag3 C9 . 2.037(5) yes
Ag4 C11 . 2.039(5) yes
Ag4 C13 . 2.049(6) yes
C5 N6 . 1.111(7) yes
C7 N8 . 1.128(7) yes
C9 N10 . 1.121(7) yes
C11 N12 . 1.111(6) yes
C13 N14 . 1.100(7) yes
P15 N16 . 1.5437(10) yes
P15 C20 . 1.795(5) yes
P15 C30 . 1.754(12) yes
P15 C40 . 1.735(6) yes
P15 N16 . 1.5437(10) yes
P15 C30 . 1.754(12) yes
P15 C40 . 1.735(6) yes
P15 C220 . 1.788(10) yes
P15 N16 . 1.5437(10) yes
P15 C20 . 1.795(5) yes
P15 C40 . 1.735(6) yes
P15 C230 . 1.816(6) yes
P15 N16 . 1.5437(10) yes
P15 C40 . 1.735(6) yes
P15 C220 . 1.788(10) yes
P15 C230 . 1.816(6) yes
P15 N16 . 1.5437(10) yes
P15 C20 . 1.795(5) yes
P15 C30 . 1.754(12) yes
P15 C240 . 1.856(7) yes
P15 N16 . 1.5437(10) yes
P15 C30 . 1.754(12) yes
P15 C220 . 1.788(10) yes
P15 C240 . 1.856(7) yes
P15 N16 . 1.5437(10) yes
P15 C20 . 1.795(5) yes
P15 C230 . 1.816(6) yes
P15 C240 . 1.856(7) yes
P15 N16 . 1.5437(10) yes
P15 C220 . 1.788(10) yes
P15 C230 . 1.816(6) yes
P15 C240 . 1.856(7) yes
C20 C21 . 1.379(3) yes
C20 C25 . 1.381(3) yes
C21 C22 . 1.380(3) yes
C21 H211 . 0.950 no
C22 C23 . 1.381(3) yes
C22 H221 . 0.950 no
C23 C24 . 1.380(3) yes
C23 H231 . 0.950 no
C24 C25 . 1.379(3) yes
C24 H241 . 0.950 no
C25 H251 . 0.950 no
C30 C31 . 1.380(3) yes
C30 C35 . 1.379(3) yes
C31 C32 . 1.380(3) yes
C31 H311 . 0.950 no
C32 C33 . 1.378(3) yes
C32 H321 . 0.950 no
C33 C34 . 1.380(3) yes
C33 H331 . 0.950 no
C34 C35 . 1.379(3) yes
C34 H341 . 0.950 no
C35 H351 . 0.950 no
C40 C41 . 1.386(3) yes
C40 C45 . 1.389(3) yes
C41 C42 . 1.388(3) yes
C41 H411 . 0.950 no
C42 C43 . 1.389(3) yes
C42 H421 . 0.950 no
C43 C44 . 1.387(3) yes
C43 H431 . 0.950 no
C44 C45 . 1.387(3) yes
C44 H441 . 0.950 no
C45 H451 . 0.950 no
C220 C221 . 1.380(3) yes
C220 C225 . 1.379(3) yes
C221 C222 . 1.380(3) yes
C221 H2211 . 0.950 no
C222 C223 . 1.379(3) yes
C222 H2221 . 0.950 no
C223 C224 . 1.380(3) yes
C223 H2231 . 0.950 no
C224 C225 . 1.380(3) yes
C224 H2241 . 0.950 no
C225 H2251 . 0.950 no
C230 C231 . 1.379(3) yes
C230 C235 . 1.378(3) yes
C231 C232 . 1.380(3) yes
C231 H2311 . 0.950 no
C232 C233 . 1.377(3) yes
C232 H2321 . 0.950 no
C233 C234 . 1.380(3) yes
C233 H2331 . 0.950 no
C234 C235 . 1.379(3) yes
C234 H2341 . 0.950 no
C235 H2351 . 0.950 no
C240 C241 . 1.388(3) yes
C240 C245 . 1.387(3) yes
C241 C242 . 1.388(3) yes
C241 H2411 . 0.950 no
C242 C243 . 1.388(3) yes
C242 H2421 . 0.950 no
C243 C244 . 1.387(3) yes
C243 H2431 . 0.950 no
C244 C245 . 1.389(3) yes
C244 H2441 . 0.950 no
C245 H2451 . 0.950 no
O501 C502 . 1.433(5) yes
O501 H5011 . 0.950 no
C502 C503 . 1.490(5) yes
C502 H5021 . 0.950 no
C502 H5022 . 0.950 no
C503 H5031 . 0.950 no
C503 H5032 . 0.950 no
C503 H5033 . 0.950 no
O511 C512 . 1.433(5) yes
O511 H5111 . 0.950 no
C512 C513 . 1.494(5) yes
C512 H5121 . 0.950 no
C512 H5122 . 0.950 no
C513 H5131 . 0.950 no
C513 H5132 . 0.950 no
C513 H5133 . 0.950 no
O521 C522 . 1.431(5) yes
O521 H5211 . 0.950 no
C522 C523 . 1.494(5) yes
C522 H5221 . 0.950 no
C522 H5222 . 0.950 no
C523 H5231 . 0.950 no
C523 H5232 . 0.950 no
C523 H5233 . 0.950 no
