#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:48:38 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185347 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/93/7039391.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_7039391
loop_
_publ_author_name
'Škoch, Karel'
'Uhlík, Filip'
'Císařová, Ivana'
'Štěpnička, Petr'
_publ_section_title
;
 Silver(i) complexes with 1'-(diphenylphosphino)-1-cyanoferrocene: the art
 of improvisation in coordination.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10655
_journal_page_last               10671
_journal_paper_doi               10.1039/c6dt01843b
_journal_volume                  45
_journal_year                    2016
_chemical_formula_moiety         'C94 H72 Ag2 Fe4 N6 P4 S2'
_chemical_formula_sum            'C94 H72 Ag2 Fe4 N6 P4 S2'
_chemical_formula_weight         1912.72
_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
_audit_update_record
;
2016-03-24 deposited with the CCDC.
2016-06-01 downloaded from the CCDC.
;
_cell_angle_alpha                104.0550(10)
_cell_angle_beta                 111.6980(10)
_cell_angle_gamma                96.5450(10)
_cell_formula_units_Z            1
_cell_length_a                   12.4899(4)
_cell_length_b                   13.2576(4)
_cell_length_c                   13.7984(4)
_cell_measurement_reflns_used    9913
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.42
_cell_volume                     2006.06(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_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  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0307
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            28941
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    1.367
_exptl_absorpt_correction_T_max  0.8868
_exptl_absorpt_correction_T_min  0.5845
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.44
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.378
_refine_diff_density_min         -0.314
_refine_diff_density_rms         0.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     505
_refine_ls_number_reflns         9205
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.024
_refine_ls_R_factor_all          0.0318
_refine_ls_R_factor_gt           0.0241
_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)+(0.0207P)²+0.8357P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0502
_refine_ls_wR_factor_ref         0.0533
_reflns_number_gt                7941
_reflns_number_total             9205
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt01843b3.cif
_cod_data_source_block           ks290
_cod_depositor_comments
'Adding full bibliography for 7039384--7039397.cif.'
_cod_database_code               7039391
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
Ag Ag 0.266705(12) 0.855319(10) 0.370088(11) 0.01548(4) Uani 1 1 d .
S3 S 0.30857(4) 0.99950(4) 0.55684(4) 0.02459(11) Uani 1 1 d .
C3 C 0.44188(16) 1.06624(13) 0.58323(14) 0.0170(4) Uani 1 1 d .
N3 N 0.53492(14) 1.11423(12) 0.60340(13) 0.0205(3) Uani 1 1 d .
Fe1 Fe -0.05057(2) 0.668453(19) 0.40412(2) 0.01593(6) Uani 1 1 d .
P1 P 0.20326(4) 0.66843(3) 0.35787(4) 0.01305(9) Uani 1 1 d .
N1 N -0.38059(17) 0.70817(15) 0.32205(18) 0.0409(5) Uani 1 1 d .
C101 C -0.15853(17) 0.75429(14) 0.44824(17) 0.0225(4) Uani 1 1 d .
C102 C -0.10477(17) 0.70439(15) 0.52921(16) 0.0236(4) Uani 1 1 d .
H102 H -0.1448 0.6554 0.5515 0.028 Uiso 1 1 calc R
C103 C 0.01932(18) 0.74150(16) 0.57012(16) 0.0271(5) Uani 1 1 d .
H103 H 0.0774 0.7213 0.6247 0.032 Uiso 1 1 calc R
C104 C 0.04212(18) 0.81411(15) 0.51559(17) 0.0270(5) Uani 1 1 d .
H104 H 0.1181 0.8505 0.5275 0.032 Uiso 1 1 calc R
C105 C -0.06678(18) 0.82312(14) 0.44085(18) 0.0257(4) Uani 1 1 d .
H105 H -0.0773 0.8668 0.3942 0.031 Uiso 1 1 calc R
C106 C 0.05202(15) 0.61088(13) 0.32829(15) 0.0159(4) Uani 1 1 d .
C107 C -0.05049(17) 0.63270(16) 0.25255(15) 0.0221(4) Uani 1 1 d .
H107 H -0.0504 0.6813 0.2120 0.027 Uiso 1 1 calc R
C108 C -0.15258(18) 0.56874(16) 0.24882(17) 0.0277(5) Uani 1 1 d .
H108 H -0.2324 0.5671 0.2051 0.033 Uiso 1 1 calc R
C109 C -0.11452(17) 0.50826(15) 0.32142(18) 0.0271(5) Uani 1 1 d .
H109 H -0.1645 0.4592 0.3351 0.032 Uiso 1 1 calc R
C110 C 0.01076(17) 0.53321(14) 0.37022(17) 0.0211(4) Uani 1 1 d .
H110 H 0.0592 0.5035 0.4220 0.025 Uiso 1 1 calc R
C111 C -0.28242(18) 0.73111(15) 0.37888(19) 0.0268(5) Uani 1 1 d .
C112 C 0.28515(15) 0.63017(14) 0.47813(15) 0.0161(4) Uani 1 1 d .
C113 C 0.31820(17) 0.53278(15) 0.46969(17) 0.0240(4) Uani 1 1 d .
H113 H 0.2999 0.4846 0.3994 0.029 Uiso 1 1 calc R
C114 C 0.37787(19) 0.50537(17) 0.56342(18) 0.0294(5) Uani 1 1 d .
H114 H 0.4015 0.4393 0.5571 0.035 Uiso 1 1 calc R
C115 C 0.40247(18) 0.57372(18) 0.66492(18) 0.0306(5) Uani 1 1 d .
H115 H 0.4414 0.5542 0.7288 0.037 Uiso 1 1 calc R
C116 C 0.37085(18) 0.67074(18) 0.67439(17) 0.0305(5) Uani 1 1 d .
H116 H 0.3883 0.7179 0.7449 0.037 Uiso 1 1 calc R
C117 C 0.31371(17) 0.70021(16) 0.58165(15) 0.0226(4) Uani 1 1 d .
H117 H 0.2942 0.7681 0.5890 0.027 Uiso 1 1 calc R
C118 C 0.22701(16) 0.58221(13) 0.24619(14) 0.0152(4) Uani 1 1 d .
C119 C 0.33902(16) 0.60236(14) 0.24495(15) 0.0187(4) Uani 1 1 d .
H119 H 0.4020 0.6547 0.3051 0.022 Uiso 1 1 calc R
C120 C 0.35849(18) 0.54644(15) 0.15653(16) 0.0230(4) Uani 1 1 d .
H120 H 0.4353 0.5591 0.1573 0.028 Uiso 1 1 calc R
C121 C 0.26654(19) 0.47215(15) 0.06704(17) 0.0264(4) Uani 1 1 d .
H121 H 0.2797 0.4350 0.0058 0.032 Uiso 1 1 calc R
C122 C 0.15519(19) 0.45213(15) 0.06707(17) 0.0263(5) Uani 1 1 d .
H122 H 0.0919 0.4015 0.0055 0.032 Uiso 1 1 calc R
C123 C 0.13567(17) 0.50556(14) 0.15641(15) 0.0196(4) Uani 1 1 d .
H123 H 0.0596 0.4899 0.1566 0.024 Uiso 1 1 calc R
Fe2 Fe 0.28437(2) 0.83739(2) 0.03703(2) 0.01550(6) Uani 1 1 d .
P2 P 0.15871(4) 0.92487(3) 0.21944(4) 0.01383(9) Uani 1 1 d .
N2 N 0.43885(19) 0.60196(17) -0.07238(16) 0.0433(5) Uani 1 1 d .
C201 C 0.42954(16) 0.79045(16) 0.02602(16) 0.0228(4) Uani 1 1 d .
C202 C 0.44983(16) 0.83060(16) 0.13919(16) 0.0218(4) Uani 1 1 d .
H202 H 0.4678 0.7923 0.1910 0.026 Uiso 1 1 calc R
C203 C 0.43814(16) 0.93740(16) 0.15917(17) 0.0237(4) Uani 1 1 d .
H203 H 0.4476 0.9837 0.2277 0.028 Uiso 1 1 calc R
C204 C 0.40993(17) 0.96474(16) 0.06078(17) 0.0271(5) Uani 1 1 d .
H204 H 0.3971 1.0319 0.0522 0.033 Uiso 1 1 calc R
C205 C 0.40416(17) 0.87452(17) -0.02233(17) 0.0271(5) Uani 1 1 d .
H205 H 0.3867 0.8702 -0.0965 0.033 Uiso 1 1 calc R
C206 C 0.15169(15) 0.85371(13) 0.08739(14) 0.0150(4) Uani 1 1 d .
C207 C 0.13095(16) 0.88714(15) -0.00853(15) 0.0201(4) Uani 1 1 d .
H207 H 0.1229 0.9563 -0.0135 0.024 Uiso 1 1 calc R
C208 C 0.12462(17) 0.79924(16) -0.09422(16) 0.0240(4) Uani 1 1 d .
H208 H 0.1111 0.7993 -0.1666 0.029 Uiso 1 1 calc R
C209 C 0.14196(16) 0.71086(15) -0.05363(16) 0.0227(4) Uani 1 1 d .
H209 H 0.1424 0.6419 -0.0940 0.027 Uiso 1 1 calc R
C210 C 0.15849(15) 0.74365(14) 0.05752(15) 0.0177(4) Uani 1 1 d .
H210 H 0.1718 0.7002 0.1045 0.021 Uiso 1 1 calc R
C211 C 0.43391(18) 0.68541(18) -0.02866(17) 0.0295(5) Uani 1 1 d .
C212 C 0.00165(15) 0.91979(13) 0.18783(15) 0.0151(4) Uani 1 1 d .
C213 C -0.08677(17) 0.84266(14) 0.09681(16) 0.0222(4) Uani 1 1 d .
H213 H -0.0660 0.7950 0.0467 0.027 Uiso 1 1 calc R
C214 C -0.20496(17) 0.83456(16) 0.07839(18) 0.0281(5) Uani 1 1 d .
H214 H -0.2644 0.7814 0.0160 0.034 Uiso 1 1 calc R
C215 C -0.23627(18) 0.90337(17) 0.15039(18) 0.0281(5) Uani 1 1 d .
H215 H -0.3171 0.8975 0.1382 0.034 Uiso 1 1 calc R
C216 C -0.14925(18) 0.98092(17) 0.24047(18) 0.0295(5) Uani 1 1 d .
H216 H -0.1706 1.0291 0.2897 0.035 Uiso 1 1 calc R
C217 C -0.03107(17) 0.98914(16) 0.25971(16) 0.0240(4) Uani 1 1 d .
H217 H 0.0280 1.0424 0.3223 0.029 Uiso 1 1 calc R
C218 C 0.21886(15) 1.06535(13) 0.24461(15) 0.0164(4) Uani 1 1 d .
C219 C 0.32794(16) 1.11473(14) 0.33100(16) 0.0212(4) Uani 1 1 d .
H219 H 0.3693 1.0754 0.3758 0.025 Uiso 1 1 calc R
C220 C 0.37707(18) 1.22142(16) 0.35228(18) 0.0293(5) Uani 1 1 d .
H220 H 0.4518 1.2549 0.4116 0.035 Uiso 1 1 calc R
C221 C 0.31777(19) 1.27866(15) 0.28766(19) 0.0306(5) Uani 1 1 d .
H221 H 0.3525 1.3511 0.3012 0.037 Uiso 1 1 calc R
C222 C 0.20797(19) 1.23126(15) 0.20314(18) 0.0304(5) Uani 1 1 d .
H222 H 0.1663 1.2716 0.1598 0.037 Uiso 1 1 calc R
C223 C 0.15815(18) 1.12482(15) 0.18128(17) 0.0242(4) Uani 1 1 d .
H223 H 0.0825 1.0924 0.1230 0.029 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 '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'
Fe Fe 0.3463 0.8444 '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
N3 Ag P1 108.15(4) 2_676 .
N3 Ag P2 107.28(4) 2_676 .
P1 Ag P2 120.270(15) . .
N3 Ag S3 93.79(4) 2_676 .
P1 Ag S3 116.063(16) . .
P2 Ag S3 107.706(17) . .
C3 S3 Ag 99.29(7) . .
N3 C3 S3 178.67(18) . .
C3 N3 Ag 158.03(15) . 2_676
C101 Fe1 C107 123.70(8) . .
C101 Fe1 C106 162.08(7) . .
C107 Fe1 C106 41.31(7) . .
C101 Fe1 C104 68.50(8) . .
C107 Fe1 C104 119.12(8) . .
C106 Fe1 C104 108.03(8) . .
C101 Fe1 C105 41.21(8) . .
C107 Fe1 C105 105.40(8) . .
C106 Fe1 C105 124.85(8) . .
C104 Fe1 C105 40.40(8) . .
C101 Fe1 C108 105.72(8) . .
C107 Fe1 C108 40.94(8) . .
C106 Fe1 C108 69.04(8) . .
C104 Fe1 C108 153.25(9) . .
C105 Fe1 C108 118.04(9) . .
C101 Fe1 C110 154.53(7) . .
C107 Fe1 C110 68.86(8) . .
C106 Fe1 C110 41.05(7) . .
C104 Fe1 C110 128.02(8) . .
C105 Fe1 C110 163.82(8) . .
C108 Fe1 C110 68.20(8) . .
C101 Fe1 C103 68.46(8) . .
C107 Fe1 C103 155.11(8) . .
C106 Fe1 C103 121.18(8) . .
C104 Fe1 C103 40.68(8) . .
C105 Fe1 C103 68.45(9) . .
C108 Fe1 C103 163.52(8) . .
C110 Fe1 C103 110.02(8) . .
C101 Fe1 C102 41.04(8) . .
C107 Fe1 C102 161.98(8) . .
C106 Fe1 C102 155.70(8) . .
C104 Fe1 C102 68.46(8) . .
C105 Fe1 C102 69.06(8) . .
C108 Fe1 C102 125.25(8) . .
C110 Fe1 C102 120.98(8) . .
C103 Fe1 C102 40.45(8) . .
C101 Fe1 C109 119.02(8) . .
C107 Fe1 C109 68.56(8) . .
C106 Fe1 C109 68.78(7) . .
C104 Fe1 C109 165.39(9) . .
C105 Fe1 C109 153.18(8) . .
C108 Fe1 C109 40.35(9) . .
C110 Fe1 C109 40.42(8) . .
C103 Fe1 C109 127.74(9) . .
C102 Fe1 C109 108.21(8) . .
C106 P1 C112 101.76(8) . .
C106 P1 C118 102.43(8) . .
C112 P1 C118 104.83(8) . .
C106 P1 Ag 121.76(6) . .
C112 P1 Ag 115.58(6) . .
C118 P1 Ag 108.59(5) . .
C102 C101 C105 108.33(17) . .
C102 C101 C111 125.54(17) . .
C105 C101 C111 125.87(19) . .
C102 C101 Fe1 70.38(11) . .
C105 C101 Fe1 69.98(11) . .
C111 C101 Fe1 120.81(15) . .
C103 C102 C101 107.30(17) . .
C103 C102 Fe1 69.73(12) . .
C101 C102 Fe1 68.57(11) . .
C103 C102 H102 126.4 . .
C101 C102 H102 126.4 . .
Fe1 C102 H102 126.9 . .
C102 C103 C104 108.34(18) . .
C102 C103 Fe1 69.82(11) . .
C104 C103 Fe1 69.37(11) . .
C102 C103 H103 125.8 . .
C104 C103 H103 125.8 . .
Fe1 C103 H103 126.6 . .
C105 C104 C103 108.69(17) . .
C105 C104 Fe1 69.82(11) . .
C103 C104 Fe1 69.95(11) . .
C105 C104 H104 125.7 . .
C103 C104 H104 125.7 . .
Fe1 C104 H104 126.2 . .
C104 C105 C101 107.34(18) . .
C104 C105 Fe1 69.78(11) . .
C101 C105 Fe1 68.80(11) . .
C104 C105 H105 126.3 . .
C101 C105 H105 126.3 . .
Fe1 C105 H105 126.6 . .
C110 C106 C107 107.08(16) . .
C110 C106 P1 127.85(14) . .
C107 C106 P1 125.01(14) . .
C110 C106 Fe1 69.89(11) . .
C107 C106 Fe1 69.09(11) . .
P1 C106 Fe1 128.10(9) . .
C108 C107 C106 107.97(17) . .
C108 C107 Fe1 70.13(11) . .
C106 C107 Fe1 69.59(11) . .
C108 C107 H107 126.0 . .
C106 C107 H107 126.0 . .
Fe1 C107 H107 125.8 . .
C109 C108 C107 108.20(17) . .
C109 C108 Fe1 70.09(11) . .
C107 C108 Fe1 68.92(11) . .
C109 C108 H108 125.9 . .
C107 C108 H108 125.9 . .
Fe1 C108 H108 126.7 . .
C108 C109 C110 108.38(17) . .
C108 C109 Fe1 69.56(11) . .
C110 C109 Fe1 69.59(10) . .
C108 C109 H109 125.8 . .
C110 C109 H109 125.8 . .
Fe1 C109 H109 126.6 . .
C109 C110 C106 108.36(17) . .
C109 C110 Fe1 69.99(11) . .
C106 C110 Fe1 69.06(10) . .
C109 C110 H110 125.8 . .
C106 C110 H110 125.8 . .
Fe1 C110 H110 126.7 . .
N1 C111 C101 177.0(2) . .
C117 C112 C113 118.99(17) . .
C117 C112 P1 118.73(14) . .
C113 C112 P1 122.27(15) . .
C112 C113 C114 120.5(2) . .
C112 C113 H113 119.7 . .
C114 C113 H113 119.7 . .
C115 C114 C113 119.97(19) . .
C115 C114 H114 120.0 . .
C113 C114 H114 120.0 . .
C114 C115 C116 120.06(19) . .
C114 C115 H115 120.0 . .
C116 C115 H115 120.0 . .
C115 C116 C117 120.6(2) . .
C115 C116 H116 119.7 . .
C117 C116 H116 119.7 . .
C116 C117 C112 119.84(19) . .
C116 C117 H117 120.1 . .
C112 C117 H117 120.1 . .
C123 C118 C119 118.72(17) . .
C123 C118 P1 122.80(14) . .
C119 C118 P1 118.08(13) . .
C120 C119 C118 120.41(17) . .
C120 C119 H119 119.8 . .
C118 C119 H119 119.8 . .
C121 C120 C119 120.27(19) . .
C121 C120 H120 119.9 . .
C119 C120 H120 119.9 . .
C120 C121 C122 119.78(19) . .
C120 C121 H121 120.1 . .
C122 C121 H121 120.1 . .
C123 C122 C121 120.34(18) . .
C123 C122 H122 119.8 . .
C121 C122 H122 119.8 . .
C122 C123 C118 120.44(18) . .
C122 C123 H123 119.8 . .
C118 C123 H123 119.8 . .
C205 Fe2 C207 120.20(8) . .
C205 Fe2 C201 41.65(8) . .
C207 Fe2 C201 158.40(8) . .
C205 Fe2 C206 158.03(8) . .
C207 Fe2 C206 41.55(7) . .
C201 Fe2 C206 159.10(7) . .
C205 Fe2 C210 157.67(8) . .
C207 Fe2 C210 69.24(7) . .
C201 Fe2 C210 123.10(8) . .
C206 Fe2 C210 41.37(7) . .
C205 Fe2 C204 40.79(8) . .
C207 Fe2 C204 104.64(8) . .
C201 Fe2 C204 68.97(8) . .
C206 Fe2 C204 122.49(8) . .
C210 Fe2 C204 161.25(8) . .
C205 Fe2 C208 104.58(8) . .
C207 Fe2 C208 40.73(8) . .
C201 Fe2 C208 122.99(8) . .
C206 Fe2 C208 69.19(7) . .
C210 Fe2 C208 68.51(8) . .
C204 Fe2 C208 119.11(8) . .
C205 Fe2 C209 120.58(8) . .
C207 Fe2 C209 68.80(8) . .
C201 Fe2 C209 107.98(8) . .
C206 Fe2 C209 69.17(7) . .
C210 Fe2 C209 40.56(7) . .
C204 Fe2 C209 155.41(8) . .
C208 Fe2 C209 40.66(8) . .
C205 Fe2 C202 69.52(8) . .
C207 Fe2 C202 157.49(8) . .
C201 Fe2 C202 41.16(8) . .
C206 Fe2 C202 122.74(7) . .
C210 Fe2 C202 109.95(7) . .
C204 Fe2 C202 68.58(8) . .
C208 Fe2 C202 161.45(8) . .
C209 Fe2 C202 126.15(8) . .
C205 Fe2 C203 68.49(8) . .
C207 Fe2 C203 121.04(8) . .
C201 Fe2 C203 68.25(8) . .
C206 Fe2 C203 108.04(8) . .
C210 Fe2 C203 126.38(8) . .
C204 Fe2 C203 40.52(8) . .
C208 Fe2 C203 155.58(8) . .
C209 Fe2 C203 162.91(8) . .
C202 Fe2 C203 40.15(8) . .
C206 P2 C218 106.54(8) . .
C206 P2 C212 101.28(8) . .
C218 P2 C212 102.99(8) . .
C206 P2 Ag 114.58(6) . .
C218 P2 Ag 113.52(6) . .
C212 P2 Ag 116.47(6) . .
C211 C201 C202 125.88(18) . .
C211 C201 C205 126.28(18) . .
C202 C201 C205 107.84(18) . .
C211 C201 Fe2 126.22(14) . .
C202 C201 Fe2 70.36(11) . .
C205 C201 Fe2 68.93(11) . .
C203 C202 C201 107.27(17) . .
C203 C202 Fe2 70.04(11) . .
C201 C202 Fe2 68.47(11) . .
C203 C202 H202 126.4 . .
C201 C202 H202 126.4 . .
Fe2 C202 H202 126.7 . .
C202 C203 C204 109.21(19) . .
C202 C203 Fe2 69.81(11) . .
C204 C203 Fe2 69.16(11) . .
C202 C203 H203 125.4 . .
C204 C203 H203 125.4 . .
Fe2 C203 H203 127.2 . .
C205 C204 C203 108.12(18) . .
C205 C204 Fe2 68.87(11) . .
C203 C204 Fe2 70.32(10) . .
C205 C204 H204 125.9 . .
C203 C204 H204 125.9 . .
Fe2 C204 H204 126.4 . .
C204 C205 C201 107.56(18) . .
C204 C205 Fe2 70.35(11) . .
C201 C205 Fe2 69.42(11) . .
C204 C205 H205 126.2 . .
C201 C205 H205 126.2 . .
Fe2 C205 H205 125.6 . .
C210 C206 C207 106.65(16) . .
C210 C206 P2 123.19(13) . .
C207 C206 P2 130.03(14) . .
C210 C206 Fe2 69.44(10) . .
C207 C206 Fe2 68.90(10) . .
P2 C206 Fe2 129.69(9) . .
C208 C207 C206 108.29(16) . .
C208 C207 Fe2 70.28(11) . .
C206 C207 Fe2 69.55(10) . .
C208 C207 H207 125.9 . .
C206 C207 H207 125.9 . .
Fe2 C207 H207 125.9 . .
C207 C208 C209 108.47(17) . .
C207 C208 Fe2 68.99(11) . .
C209 C208 Fe2 69.93(10) . .
C207 C208 H208 125.8 . .
C209 C208 H208 125.8 . .
Fe2 C208 H208 126.9 . .
C210 C209 C208 108.03(17) . .
C210 C209 Fe2 69.28(10) . .
C208 C209 Fe2 69.41(11) . .
C210 C209 H209 126.0 . .
C208 C209 H209 126.0 . .
Fe2 C209 H209 126.9 . .
C209 C210 C206 108.56(16) . .
C209 C210 Fe2 70.16(10) . .
C206 C210 Fe2 69.18(10) . .
C209 C210 H210 125.7 . .
C206 C210 H210 125.7 . .
Fe2 C210 H210 126.5 . .
N2 C211 C201 179.1(2) . .
C213 C212 C217 118.50(17) . .
C213 C212 P2 121.36(15) . .
C217 C212 P2 119.98(14) . .
C214 C213 C212 120.78(19) . .
C214 C213 H213 119.6 . .
C212 C213 H213 119.6 . .
C215 C214 C213 120.21(19) . .
C215 C214 H214 119.9 . .
C213 C214 H214 119.9 . .
C214 C215 C216 119.48(19) . .
C214 C215 H215 120.3 . .
C216 C215 H215 120.3 . .
C215 C216 C217 120.6(2) . .
C215 C216 H216 119.7 . .
C217 C216 H216 119.7 . .
C216 C217 C212 120.38(18) . .
C216 C217 H217 119.8 . .
C212 C217 H217 119.8 . .
C219 C218 C223 119.10(16) . .
C219 C218 P2 118.61(13) . .
C223 C218 P2 122.29(14) . .
C218 C219 C220 120.30(18) . .
C218 C219 H219 119.8 . .
C220 C219 H219 119.8 . .
C221 C220 C219 120.13(19) . .
C221 C220 H220 119.9 . .
C219 C220 H220 119.9 . .
C220 C221 C222 120.16(18) . .
C220 C221 H221 119.9 . .
C222 C221 H221 119.9 . .
C221 C222 C223 120.12(19) . .
C221 C222 H222 119.9 . .
C223 C222 H222 119.9 . .
C222 C223 C218 120.15(18) . .
C222 C223 H223 119.9 . .
C218 C223 H223 119.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag N3 2.3379(16) 2_676
Ag P1 2.4589(4) .
Ag P2 2.4763(5) .
Ag S3 2.6364(5) .
S3 C3 1.6575(19) .
C3 N3 1.157(2) .
N3 Ag 2.3379(16) 2_676
Fe1 C101 2.0259(19) .
Fe1 C107 2.0295(19) .
Fe1 C106 2.0361(19) .
Fe1 C104 2.0411(19) .
Fe1 C105 2.0416(19) .
Fe1 C108 2.046(2) .
Fe1 C110 2.0472(19) .
Fe1 C103 2.049(2) .
Fe1 C102 2.050(2) .
Fe1 C109 2.0525(19) .
P1 C106 1.8076(18) .
P1 C112 1.8245(18) .
P1 C118 1.8245(19) .
N1 C111 1.140(3) .
C101 C102 1.429(3) .
C101 C105 1.432(3) .
C101 C111 1.435(3) .
C102 C103 1.417(3) .
C102 H102 0.9500 .
C103 C104 1.422(3) .
C103 H103 0.9500 .
C104 C105 1.410(3) .
C104 H104 0.9500 .
C105 H105 0.9500 .
C106 C110 1.432(2) .
C106 C107 1.434(3) .
C107 C108 1.425(3) .
C107 H107 0.9500 .
C108 C109 1.413(3) .
C108 H108 0.9500 .
C109 C110 1.416(3) .
C109 H109 0.9500 .
C110 H110 0.9500 .
C112 C117 1.390(3) .
C112 C113 1.391(3) .
C113 C114 1.392(3) .
C113 H113 0.9500 .
C114 C115 1.371(3) .
C114 H114 0.9500 .
C115 C116 1.378(3) .
C115 H115 0.9500 .
C116 C117 1.389(3) .
C116 H116 0.9500 .
C117 H117 0.9500 .
C118 C123 1.396(2) .
C118 C119 1.401(3) .
C119 C120 1.385(3) .
C119 H119 0.9500 .
C120 C121 1.384(3) .
C120 H120 0.9500 .
C121 C122 1.386(3) .
C121 H121 0.9500 .
C122 C123 1.385(3) .
C122 H122 0.9500 .
C123 H123 0.9500 .
Fe2 C205 2.0213(19) .
Fe2 C207 2.0251(19) .
Fe2 C201 2.028(2) .
Fe2 C206 2.0337(18) .
Fe2 C210 2.0372(17) .
Fe2 C204 2.0409(18) .
Fe2 C208 2.0420(19) .
Fe2 C209 2.0488(18) .
Fe2 C202 2.0532(18) .
Fe2 C203 2.0561(18) .
P2 C206 1.8016(19) .
P2 C218 1.8242(17) .
P2 C212 1.8346(18) .
N2 C211 1.145(3) .
C201 C211 1.431(3) .
C201 C202 1.435(3) .
C201 C205 1.440(3) .
C202 C203 1.411(3) .
C202 H202 0.9500 .
C203 C204 1.419(3) .
C203 H203 0.9500 .
C204 C205 1.416(3) .
C204 H204 0.9500 .
C205 H205 0.9500 .
C206 C210 1.438(2) .
C206 C207 1.440(2) .
C207 C208 1.415(3) .
C207 H207 0.9500 .
C208 C209 1.421(3) .
C208 H208 0.9500 .
C209 C210 1.416(3) .
C209 H209 0.9500 .
C210 H210 0.9500 .
C212 C213 1.391(2) .
C212 C217 1.392(3) .
C213 C214 1.389(3) .
C213 H213 0.9500 .
C214 C215 1.379(3) .
C214 H214 0.9500 .
C215 C216 1.382(3) .
C215 H215 0.9500 .
C216 C217 1.386(3) .
C216 H216 0.9500 .
C217 H217 0.9500 .
C218 C219 1.387(2) .
C218 C223 1.393(2) .
C219 C220 1.389(3) .
C219 H219 0.9500 .
C220 C221 1.374(3) .
C220 H220 0.9500 .
C221 C222 1.379(3) .
C221 H221 0.9500 .
C222 C223 1.387(3) .
C222 H222 0.9500 .
C223 H223 0.9500 .
