#------------------------------------------------------------------------------
#$Date: 2017-12-10 06:09:57 +0200 (Sun, 10 Dec 2017) $
#$Revision: 204132 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/93/7039392.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_7039392
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         'C92 H72 Ag2 F6 Fe4 N4 P4 Si'
_chemical_formula_sum            'C92 H72 Ag2 F6 Fe4 N4 P4 Si'
_chemical_formula_weight         1938.65
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 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                90.00
_cell_angle_beta                 115.3360(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.7175(8)
_cell_length_b                   14.4939(4)
_cell_length_c                   26.1685(8)
_cell_measurement_reflns_used    9928
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.63
_cell_volume                     9158.8(5)
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0358
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -34
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            38841
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.64
_exptl_absorpt_coefficient_mu    1.176
_exptl_absorpt_correction_T_max  0.8915
_exptl_absorpt_correction_T_min  0.6506
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS V2012/1 (Bruker AXS Inc.)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3912
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.945
_refine_diff_density_min         -0.769
_refine_diff_density_rms         0.089
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.147
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     529
_refine_ls_number_reflns         10515
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.148
_refine_ls_R_factor_all          0.0555
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0185P)²+47.4837P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0915
_refine_ls_wR_factor_ref         0.0944
_reflns_number_gt                8928
_reflns_number_total             10515
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt01843b3.cif
_cod_data_source_block           ks328sq
_cod_depositor_comments
'Adding full bibliography for 7039384--7039397.cif.'
_cod_database_code               7039392
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y, -z+1/2'
3 'x+1/2, y+1/2, z'
4 '-x+1/2, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x, -y, z-1/2'
7 '-x+1/2, -y+1/2, -z'
8 '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
Ag Ag 0.136467(10) 0.048625(17) 0.051308(11) 0.02013(7) Uani 1 1 d . . .
Fe1 Fe 0.16194(2) -0.24137(3) 0.11059(2) 0.02194(11) Uani 1 1 d . . .
Fe2 Fe 0.07400(2) 0.27968(4) 0.14490(2) 0.02768(13) Uani 1 1 d . A .
P1 P 0.18937(4) -0.07386(6) 0.03473(4) 0.01891(17) Uani 1 1 d . . .
P2 P 0.15926(3) 0.20590(6) 0.08348(3) 0.01697(17) Uani 1 1 d . . .
N1 N 0.2161(3) -0.4533(4) 0.2251(2) 0.118(3) Uani 1 1 d . . .
N2A N 0.0427(5) 0.5220(9) 0.0663(6) 0.098(4) Uani 0.50 1 d PU A 1
N2B N -0.0190(5) 0.1943(8) 0.2231(4) 0.086(3) Uani 0.50 1 d PU . 2
C101 C 0.1782(2) -0.2910(3) 0.18762(17) 0.0419(11) Uani 1 1 d . . .
C102 C 0.2116(2) -0.2117(3) 0.19248(17) 0.0481(12) Uani 1 1 d . . .
H102 H 0.2509 -0.2088 0.2089 0.058 Uiso 1 1 calc R . .
C103 C 0.1740(3) -0.1381(3) 0.16771(19) 0.0545(14) Uani 1 1 d . . .
H103 H 0.1841 -0.0760 0.1652 0.065 Uiso 1 1 calc R . .
C104 C 0.1201(3) -0.1710(4) 0.1477(2) 0.0629(15) Uani 1 1 d . . .
H104 H 0.0874 -0.1357 0.1288 0.076 Uiso 1 1 calc R . .
C105 C 0.1226(2) -0.2648(4) 0.1601(2) 0.0556(13) Uani 1 1 d . . .
H105 H 0.0916 -0.3043 0.1514 0.067 Uiso 1 1 calc R . .
C106 C 0.17174(14) -0.1907(2) 0.04308(13) 0.0207(7) Uani 1 1 d . . .
C107 C 0.11635(15) -0.2215(2) 0.02675(14) 0.0274(8) Uani 1 1 d . . .
H107 H 0.0839 -0.1847 0.0103 0.033 Uiso 1 1 calc R . .
C108 C 0.11823(17) -0.3173(3) 0.03953(15) 0.0331(9) Uani 1 1 d . . .
H108 H 0.0872 -0.3559 0.0324 0.040 Uiso 1 1 calc R . .
C109 C 0.17393(16) -0.3447(2) 0.06448(15) 0.0286(8) Uani 1 1 d . . .
H109 H 0.1870 -0.4051 0.0776 0.034 Uiso 1 1 calc R . .
C110 C 0.20754(15) -0.2681(2) 0.06690(14) 0.0244(7) Uani 1 1 d . . .
H110 H 0.2468 -0.2680 0.0817 0.029 Uiso 1 1 calc R . .
C111 C 0.1994(3) -0.3815(4) 0.2080(2) 0.0689(17) Uani 1 1 d . . .
C112 C 0.18518(14) -0.0716(2) -0.03659(14) 0.0224(7) Uani 1 1 d . . .
C113 C 0.20955(16) 0.0009(3) -0.05284(17) 0.0342(9) Uani 1 1 d . . .
H113 H 0.2292 0.0473 -0.0261 0.041 Uiso 1 1 calc R . .
C114 C 0.20559(18) 0.0063(3) -0.10712(18) 0.0413(10) Uani 1 1 d . . .
H114 H 0.2229 0.0556 -0.1174 0.050 Uiso 1 1 calc R . .
C115 C 0.17621(18) -0.0606(3) -0.14666(17) 0.0408(10) Uani 1 1 d . . .
H115 H 0.1734 -0.0573 -0.1840 0.049 Uiso 1 1 calc R . .
C116 C 0.1512(2) -0.1318(3) -0.13149(17) 0.0428(11) Uani 1 1 d . . .
H116 H 0.1309 -0.1774 -0.1585 0.051 Uiso 1 1 calc R . .
C117 C 0.15562(17) -0.1370(3) -0.07673(16) 0.0322(9) Uani 1 1 d . . .
H117 H 0.1381 -0.1862 -0.0667 0.039 Uiso 1 1 calc R . .
C118 C 0.26352(14) -0.0682(2) 0.07989(14) 0.0208(7) Uani 1 1 d . . .
C119 C 0.30148(15) -0.1161(2) 0.06646(16) 0.0272(8) Uani 1 1 d . . .
H119 H 0.2892 -0.1499 0.0321 0.033 Uiso 1 1 calc R . .
C120 C 0.35717(15) -0.1142(3) 0.10332(18) 0.0344(9) Uani 1 1 d . . .
H120 H 0.3831 -0.1464 0.0940 0.041 Uiso 1 1 calc R . .
C121 C 0.37520(16) -0.0660(3) 0.15342(18) 0.0381(10) Uani 1 1 d . . .
H121 H 0.4133 -0.0665 0.1790 0.046 Uiso 1 1 calc R . .
C122 C 0.33800(17) -0.0172(3) 0.16639(17) 0.0360(9) Uani 1 1 d . . .
H122 H 0.3506 0.0172 0.2005 0.043 Uiso 1 1 calc R . .
C123 C 0.28205(16) -0.0180(3) 0.12967(15) 0.0280(8) Uani 1 1 d . . .
H123 H 0.2565 0.0159 0.1387 0.034 Uiso 1 1 calc R . .
C201 C 0.01802(17) 0.3698(3) 0.0921(2) 0.0476(12) Uani 1 1 d . . .
H201 H 0.0258 0.4272 0.0795 0.057 Uiso 0.50 1 d PR B 2
C202 C 0.01208(14) 0.2839(3) 0.06488(16) 0.0335(9) Uani 1 1 d . A .
H202 H 0.0160 0.2724 0.0310 0.040 Uiso 1 1 calc R . .
C203 C -0.00070(15) 0.2178(3) 0.09728(16) 0.0357(9) Uani 1 1 d . . .
H203 H -0.0072 0.1539 0.0889 0.043 Uiso 1 1 calc R A .
C204 C -0.00214(17) 0.2633(3) 0.14423(18) 0.0415(10) Uani 1 1 d . A .
H204 H -0.0104 0.2356 0.1726 0.050 Uiso 0.50 1 d PR C 1
C205 C 0.00933(16) 0.3557(3) 0.1415(2) 0.0464(12) Uani 1 1 d . A .
H205 H 0.0111 0.4018 0.1680 0.056 Uiso 1 1 calc R . .
C206 C 0.14631(13) 0.2412(2) 0.14229(14) 0.0220(7) Uani 1 1 d . . .
C207 C 0.13190(16) 0.1786(3) 0.17529(16) 0.0355(9) Uani 1 1 d . A .
H207 H 0.1256 0.1144 0.1684 0.043 Uiso 1 1 calc R . .
C208 C 0.12858(18) 0.2287(4) 0.22053(16) 0.0536(15) Uani 1 1 d . . .
H208 H 0.1196 0.2036 0.2491 0.064 Uiso 1 1 calc R A .
C209 C 0.14092(17) 0.3214(4) 0.21565(18) 0.0537(14) Uani 1 1 d . A .
H209 H 0.1417 0.3699 0.2404 0.064 Uiso 1 1 calc R . .
C210 C 0.15203(16) 0.3305(3) 0.16791(17) 0.0365(10) Uani 1 1 d . A .
H210 H 0.1616 0.3860 0.1550 0.044 Uiso 1 1 calc R . .
C21A C 0.0316(4) 0.4501(7) 0.0790(6) 0.064(3) Uani 0.50 1 d P A 1
C21B C -0.0099(4) 0.2327(9) 0.1885(4) 0.060(3) Uani 0.50 1 d P A 2
C212 C 0.23371(13) 0.2266(2) 0.10816(14) 0.0201(7) Uani 1 1 d . . .
C213 C 0.25654(15) 0.2116(3) 0.06974(15) 0.0290(8) Uani 1 1 d . A .
H213 H 0.2333 0.1938 0.0320 0.035 Uiso 1 1 calc R . .
C214 C 0.31252(17) 0.2228(3) 0.08639(18) 0.0395(10) Uani 1 1 d . . .
H214 H 0.3277 0.2134 0.0599 0.047 Uiso 1 1 calc R A .
C215 C 0.34679(16) 0.2476(3) 0.14142(18) 0.0389(10) Uani 1 1 d . A .
H215 H 0.3855 0.2547 0.1529 0.047 Uiso 1 1 calc R . .
C216 C 0.32468(16) 0.2619(3) 0.17943(17) 0.0386(10) Uani 1 1 d . . .
H216 H 0.3481 0.2795 0.2172 0.046 Uiso 1 1 calc R A .
C217 C 0.26818(15) 0.2508(3) 0.16309(15) 0.0289(8) Uani 1 1 d . A .
H217 H 0.2533 0.2599 0.1898 0.035 Uiso 1 1 calc R . .
C218 C 0.12793(14) 0.2895(2) 0.02699(14) 0.0220(7) Uani 1 1 d . . .
C219 C 0.14793(18) 0.3789(3) 0.03019(17) 0.0354(9) Uani 1 1 d . A .
H219 H 0.1788 0.3988 0.0633 0.042 Uiso 1 1 calc R . .
C220 C 0.1227(2) 0.4391(3) -0.01495(19) 0.0471(11) Uani 1 1 d . . .
H220 H 0.1359 0.5006 -0.0123 0.056 Uiso 1 1 calc R A .
C221 C 0.07878(19) 0.4101(3) -0.06347(19) 0.0453(11) Uani 1 1 d . A .
H221 H 0.0622 0.4511 -0.0945 0.054 Uiso 1 1 calc R . .
C222 C 0.05856(16) 0.3209(3) -0.06719(17) 0.0402(10) Uani 1 1 d . . .
H222 H 0.0278 0.3013 -0.1005 0.048 Uiso 1 1 calc R A .
C223 C 0.08327(15) 0.2609(3) -0.02231(15) 0.0283(8) Uani 1 1 d . A .
H223 H 0.0697 0.1996 -0.0251 0.034 Uiso 1 1 calc R . .
Si Si 0.0000 0.0000 0.0000 0.0216(3) Uani 1 2 d S . .
F1 F 0.04802(8) -0.01795(16) -0.02498(9) 0.0330(5) Uani 1 1 d . . .
F3 F 0.00061(9) -0.11235(14) 0.01428(11) 0.0389(6) Uani 1 1 d . . .
F2 F 0.05197(8) 0.01798(16) 0.06562(9) 0.0329(5) 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 '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'
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'
O O 0.0106 0.0060 '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
P2 Ag P1 132.44(3) . .
P2 Ag F2 103.08(6) . .
P1 Ag F2 122.30(6) . .
P2 Ag F1 130.00(6) . .
P1 Ag F1 89.93(5) . .
F2 Ag F1 56.67(7) . .
C101 Fe1 C105 40.7(2) . .
C101 Fe1 C107 155.82(17) . .
C105 Fe1 C107 118.9(2) . .
C101 Fe1 C102 41.46(18) . .
C105 Fe1 C102 69.0(2) . .
C107 Fe1 C102 159.20(17) . .
C101 Fe1 C106 162.00(18) . .
C105 Fe1 C106 156.44(19) . .
C107 Fe1 C106 41.16(14) . .
C102 Fe1 C106 125.00(16) . .
C101 Fe1 C110 124.92(18) . .
C105 Fe1 C110 158.75(19) . .
C107 Fe1 C110 69.20(15) . .
C102 Fe1 C110 110.88(18) . .
C106 Fe1 C110 41.27(13) . .
C101 Fe1 C109 108.11(16) . .
C105 Fe1 C109 121.03(19) . .
C107 Fe1 C109 68.64(15) . .
C102 Fe1 C109 125.87(19) . .
C106 Fe1 C109 68.79(14) . .
C110 Fe1 C109 40.64(15) . .
C101 Fe1 C104 68.2(2) . .
C105 Fe1 C104 40.2(2) . .
C107 Fe1 C104 104.3(2) . .
C102 Fe1 C104 68.6(2) . .
C106 Fe1 C104 122.29(19) . .
C110 Fe1 C104 160.9(2) . .
C109 Fe1 C104 155.3(2) . .
C101 Fe1 C103 68.21(18) . .
C105 Fe1 C103 67.4(2) . .
C107 Fe1 C103 121.53(18) . .
C102 Fe1 C103 40.8(2) . .
C106 Fe1 C103 109.45(16) . .
C110 Fe1 C103 127.33(19) . .
C109 Fe1 C103 163.6(2) . .
C104 Fe1 C103 39.8(2) . .
C101 Fe1 C108 121.01(16) . .
C105 Fe1 C108 104.0(2) . .
C107 Fe1 C108 41.00(14) . .
C102 Fe1 C108 159.65(18) . .
C106 Fe1 C108 68.86(15) . .
C110 Fe1 C108 68.42(16) . .
C109 Fe1 C108 40.24(16) . .
C104 Fe1 C108 119.1(2) . .
C103 Fe1 C108 155.7(2) . .
C205 Fe2 C201 41.28(19) . .
C205 Fe2 C207 154.92(19) . .
C201 Fe2 C207 162.06(18) . .
C205 Fe2 C208 119.07(18) . .
C201 Fe2 C208 156.2(2) . .
C207 Fe2 C208 41.06(17) . .
C205 Fe2 C209 106.23(18) . .
C201 Fe2 C209 122.3(2) . .
C207 Fe2 C209 68.5(2) . .
C208 Fe2 C209 40.3(2) . .
C205 Fe2 C202 68.64(17) . .
C201 Fe2 C202 40.60(18) . .
C207 Fe2 C202 124.83(17) . .
C208 Fe2 C202 160.1(2) . .
C209 Fe2 C202 159.1(2) . .
C205 Fe2 C206 162.30(19) . .
C201 Fe2 C206 126.00(18) . .
C207 Fe2 C206 40.70(15) . .
C208 Fe2 C206 68.76(15) . .
C209 Fe2 C206 68.68(15) . .
C202 Fe2 C206 109.71(14) . .
C205 Fe2 C204 39.82(19) . .
C201 Fe2 C204 68.05(19) . .
C207 Fe2 C204 120.61(19) . .
C208 Fe2 C204 105.28(19) . .
C209 Fe2 C204 121.73(18) . .
C202 Fe2 C204 68.11(16) . .
C206 Fe2 C204 157.35(17) . .
C205 Fe2 C210 124.19(18) . .
C201 Fe2 C210 109.35(19) . .
C207 Fe2 C210 68.56(18) . .
C208 Fe2 C210 68.1(2) . .
C209 Fe2 C210 40.36(18) . .
C202 Fe2 C210 124.65(17) . .
C206 Fe2 C210 41.16(14) . .
C204 Fe2 C210 158.73(16) . .
C205 Fe2 C203 67.68(17) . .
C201 Fe2 C203 67.93(18) . .
C207 Fe2 C203 107.62(18) . .
C208 Fe2 C203 122.6(2) . .
C209 Fe2 C203 158.1(2) . .
C202 Fe2 C203 40.44(16) . .
C206 Fe2 C203 123.32(15) . .
C204 Fe2 C203 40.27(16) . .
C210 Fe2 C203 160.18(16) . .
C106 P1 C112 103.71(15) . .
C106 P1 C118 103.42(15) . .
C112 P1 C118 103.69(16) . .
C106 P1 Ag 117.77(11) . .
C112 P1 Ag 112.70(11) . .
C118 P1 Ag 113.99(11) . .
C206 P2 C218 108.50(16) . .
C206 P2 C212 103.29(15) . .
C218 P2 C212 103.32(15) . .
C206 P2 Ag 117.18(12) . .
C218 P2 Ag 112.75(11) . .
C212 P2 Ag 110.51(11) . .
C21B N2B N2B 120.0(13) . 2
C105 C101 C102 108.2(4) . .
C105 C101 C111 127.0(5) . .
C102 C101 C111 124.8(5) . .
C105 C101 Fe1 70.1(3) . .
C102 C101 Fe1 70.1(2) . .
C111 C101 Fe1 125.6(3) . .
C103 C102 C101 105.8(4) . .
C103 C102 Fe1 70.2(2) . .
C101 C102 Fe1 68.5(2) . .
C103 C102 H102 127.1 . .
C101 C102 H102 127.1 . .
Fe1 C102 H102 125.8 . .
C104 C103 C102 109.3(5) . .
C104 C103 Fe1 70.0(3) . .
C102 C103 Fe1 69.0(2) . .
C104 C103 H103 125.3 . .
C102 C103 H103 125.3 . .
Fe1 C103 H103 127.2 . .
C103 C104 C105 108.1(5) . .
C103 C104 Fe1 70.2(3) . .
C105 C104 Fe1 69.1(3) . .
C103 C104 H104 126.0 . .
C105 C104 H104 126.0 . .
Fe1 C104 H104 126.4 . .
C104 C105 C101 108.6(5) . .
C104 C105 Fe1 70.8(3) . .
C101 C105 Fe1 69.2(2) . .
C104 C105 H105 125.7 . .
C101 C105 H105 125.7 . .
Fe1 C105 H105 125.9 . .
C107 C106 C110 107.4(3) . .
C107 C106 P1 123.5(3) . .
C110 C106 P1 129.1(3) . .
C107 C106 Fe1 69.13(19) . .
C110 C106 Fe1 69.45(19) . .
P1 C106 Fe1 125.79(17) . .
C108 C107 C106 107.9(3) . .
C108 C107 Fe1 70.3(2) . .
C106 C107 Fe1 69.71(19) . .
C108 C107 H107 126.1 . .
C106 C107 H107 126.1 . .
Fe1 C107 H107 125.6 . .
C109 C108 C107 108.0(3) . .
C109 C108 Fe1 69.5(2) . .
C107 C108 Fe1 68.7(2) . .
C109 C108 H108 126.0 . .
C107 C108 H108 126.0 . .
Fe1 C108 H108 127.3 . .
C108 C109 C110 109.0(3) . .
C108 C109 Fe1 70.3(2) . .
C110 C109 Fe1 69.68(19) . .
C108 C109 H109 125.5 . .
C110 C109 H109 125.5 . .
Fe1 C109 H109 126.2 . .
C109 C110 C106 107.6(3) . .
C109 C110 Fe1 69.7(2) . .
C106 C110 Fe1 69.28(19) . .
C109 C110 H110 126.2 . .
C106 C110 H110 126.2 . .
Fe1 C110 H110 126.4 . .
N1 C111 C101 178.7(7) . .
C117 C112 C113 118.3(3) . .
C117 C112 P1 122.0(3) . .
C113 C112 P1 119.6(3) . .
C114 C113 C112 121.1(4) . .
C114 C113 H113 119.5 . .
C112 C113 H113 119.5 . .
C113 C114 C115 119.7(4) . .
C113 C114 H114 120.1 . .
C115 C114 H114 120.1 . .
C116 C115 C114 119.8(4) . .
C116 C115 H115 120.1 . .
C114 C115 H115 120.1 . .
C115 C116 C117 120.0(4) . .
C115 C116 H116 120.0 . .
C117 C116 H116 120.0 . .
C112 C117 C116 121.0(4) . .
C112 C117 H117 119.5 . .
C116 C117 H117 119.5 . .
C123 C118 C119 119.5(3) . .
C123 C118 P1 119.0(3) . .
C119 C118 P1 121.4(3) . .
C120 C119 C118 119.8(4) . .
C120 C119 H119 120.1 . .
C118 C119 H119 120.1 . .
C121 C120 C119 120.4(4) . .
C121 C120 H120 119.8 . .
C119 C120 H120 119.8 . .
C122 C121 C120 120.0(4) . .
C122 C121 H121 120.0 . .
C120 C121 H121 120.0 . .
C121 C122 C123 120.1(4) . .
C121 C122 H122 119.9 . .
C123 C122 H122 119.9 . .
C118 C123 C122 120.1(4) . .
C118 C123 H123 120.0 . .
C122 C123 H123 120.0 . .
C21A C201 C202 129.7(7) . .
C21A C201 C205 122.5(7) . .
C202 C201 C205 107.8(4) . .
C21A C201 Fe2 123.1(5) . .
C202 C201 Fe2 70.4(2) . .
C205 C201 Fe2 69.3(3) . .
C202 C201 H201 126.4 . .
C205 C201 H201 125.9 . .
Fe2 C201 H201 126.5 . .
C201 C202 C203 107.4(4) . .
C201 C202 Fe2 69.0(2) . .
C203 C202 Fe2 70.3(2) . .
C201 C202 H202 126.3 . .
C203 C202 H202 126.3 . .
Fe2 C202 H202 126.0 . .
C204 C203 C202 108.1(4) . .
C204 C203 Fe2 69.4(2) . .
C202 C203 Fe2 69.3(2) . .
C204 C203 H203 126.0 . .
C202 C203 H203 126.0 . .
Fe2 C203 H203 126.9 . .
C21B C204 C205 119.0(7) . .
C21B C204 C203 132.3(7) . .
C205 C204 C203 108.6(4) . .
C21B C204 Fe2 123.7(5) . .
C205 C204 Fe2 69.2(2) . .
C203 C204 Fe2 70.3(2) . .
C205 C204 H204 125.4 . .
C203 C204 H204 126.0 . .
Fe2 C204 H204 127.4 . .
C204 C205 C201 108.2(4) . .
C204 C205 Fe2 70.9(2) . .
C201 C205 Fe2 69.4(2) . .
C204 C205 H205 125.9 . .
C201 C205 H205 125.9 . .
Fe2 C205 H205 125.3 . .
C207 C206 C210 107.2(3) . .
C207 C206 P2 123.0(3) . .
C210 C206 P2 129.7(3) . .
C207 C206 Fe2 69.2(2) . .
C210 C206 Fe2 69.6(2) . .
P2 C206 Fe2 129.87(18) . .
C206 C207 C208 108.1(4) . .
C206 C207 Fe2 70.1(2) . .
C208 C207 Fe2 69.5(2) . .
C206 C207 H207 125.9 . .
C208 C207 H207 125.9 . .
Fe2 C207 H207 126.1 . .
C209 C208 C207 108.2(4) . .
C209 C208 Fe2 70.2(3) . .
C207 C208 Fe2 69.5(2) . .
C209 C208 H208 125.9 . .
C207 C208 H208 125.9 . .
Fe2 C208 H208 126.0 . .
C208 C209 C210 108.5(4) . .
C208 C209 Fe2 69.5(3) . .
C210 C209 Fe2 70.0(2) . .
C208 C209 H209 125.7 . .
C210 C209 H209 125.7 . .
Fe2 C209 H209 126.3 . .
C209 C210 C206 108.0(4) . .
C209 C210 Fe2 69.6(3) . .
C206 C210 Fe2 69.3(2) . .
C209 C210 H210 126.0 . .
C206 C210 H210 126.0 . .
Fe2 C210 H210 126.7 . .
N2A C21A C201 178.5(15) . .
N2A C21A H201 166.6 . .
N2B C21B C204 170.4(13) . .
N2B C21B H204 154.0 . .
C217 C212 C213 119.1(3) . .
C217 C212 P2 123.2(3) . .
C213 C212 P2 117.6(3) . .
C214 C213 C212 120.2(3) . .
C214 C213 H213 119.9 . .
C212 C213 H213 119.9 . .
C213 C214 C215 120.4(4) . .
C213 C214 H214 119.8 . .
C215 C214 H214 119.8 . .
C216 C215 C214 119.7(4) . .
C216 C215 H215 120.2 . .
C214 C215 H215 120.2 . .
C215 C216 C217 120.4(4) . .
C215 C216 H216 119.8 . .
C217 C216 H216 119.8 . .
C212 C217 C216 120.2(3) . .
C212 C217 H217 119.9 . .
C216 C217 H217 119.9 . .
C219 C218 C223 119.2(3) . .
C219 C218 P2 122.8(3) . .
C223 C218 P2 117.9(3) . .
C220 C219 C218 120.0(4) . .
C220 C219 H219 120.0 . .
C218 C219 H219 120.0 . .
C221 C220 C219 120.3(4) . .
C221 C220 H220 119.8 . .
C219 C220 H220 119.8 . .
C220 C221 C222 120.2(4) . .
C220 C221 H221 119.9 . .
C222 C221 H221 119.9 . .
C223 C222 C221 119.8(4) . .
C223 C222 H222 120.1 . .
C221 C222 H222 120.1 . .
C222 C223 C218 120.5(4) . .
C222 C223 H223 119.8 . .
C218 C223 H223 119.8 . .
F3 Si F3 180.00(19) . 5
F3 Si F1 90.01(11) . .
F3 Si F1 89.99(11) 5 .
F3 Si F1 89.99(11) . 5
F3 Si F1 90.01(11) 5 5
F1 Si F1 180.00(18) . 5
F3 Si F2 90.12(11) . 5
F3 Si F2 89.88(11) 5 5
F1 Si F2 90.73(10) . 5
F1 Si F2 89.27(10) 5 5
F3 Si F2 89.88(11) . .
F3 Si F2 90.12(11) 5 .
F1 Si F2 89.27(10) . .
F1 Si F2 90.73(10) 5 .
F2 Si F2 180.0(2) 5 .
Si F1 Ag 104.01(10) . .
Si F2 Ag 106.07(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag P2 2.4160(9) .
Ag P1 2.4213(9) .
Ag F2 2.482(2) .
Ag F1 2.542(2) .
Fe1 C101 2.005(4) .
Fe1 C105 2.017(4) .
Fe1 C107 2.023(3) .
Fe1 C102 2.026(4) .
Fe1 C106 2.031(3) .
Fe1 C110 2.033(3) .
Fe1 C109 2.033(4) .
Fe1 C104 2.039(5) .
Fe1 C103 2.041(4) .
Fe1 C108 2.043(4) .
Fe2 C205 2.019(4) .
Fe2 C201 2.021(4) .
Fe2 C207 2.029(4) .
Fe2 C208 2.030(4) .
Fe2 C209 2.039(4) .
Fe2 C202 2.040(4) .
Fe2 C206 2.040(3) .
Fe2 C204 2.041(4) .
Fe2 C210 2.044(4) .
Fe2 C203 2.052(4) .
P1 C106 1.796(3) .
P1 C112 1.821(3) .
P1 C118 1.823(3) .
P2 C206 1.791(3) .
P2 C218 1.816(3) .
P2 C212 1.834(3) .
N1 C111 1.144(7) .
N2A C21A 1.170(15) .
N2B C21B 1.172(14) .
N2B N2B 1.34(2) 2
C101 C105 1.399(7) .
C101 C102 1.427(6) .
C101 C111 1.438(7) .
C102 C103 1.418(7) .
C102 H102 0.9500 .
C103 C104 1.389(8) .
C103 H103 0.9500 .
C104 C105 1.392(8) .
C104 H104 0.9500 .
C105 H105 0.9500 .
C106 C107 1.425(5) .
C106 C110 1.432(5) .
C107 C108 1.424(5) .
C107 H107 0.9500 .
C108 C109 1.402(5) .
C108 H108 0.9500 .
C109 C110 1.412(5) .
C109 H109 0.9500 .
C110 H110 0.9500 .
C112 C117 1.384(5) .
C112 C113 1.395(5) .
C113 C114 1.381(6) .
C113 H113 0.9500 .
C114 C115 1.391(6) .
C114 H114 0.9500 .
C115 C116 1.377(6) .
C115 H115 0.9500 .
C116 C117 1.389(5) .
C116 H116 0.9500 .
C117 H117 0.9500 .
C118 C123 1.386(5) .
C118 C119 1.392(5) .
C119 C120 1.384(5) .
C119 H119 0.9500 .
C120 C121 1.378(6) .
C120 H120 0.9500 .
C121 C122 1.376(6) .
C121 H121 0.9500 .
C122 C123 1.389(5) .
C122 H122 0.9500 .
C123 H123 0.9500 .
C201 C21A 1.308(11) .
C201 C202 1.409(6) .
C201 C205 1.424(7) .
C201 H201 0.9500 .
C202 C203 1.414(6) .
C202 H202 0.9500 .
C203 C204 1.409(5) .
C203 H203 0.9500 .
C204 C21B 1.337(11) .
C204 C205 1.383(7) .
C204 H204 0.9500 .
C205 H205 0.9500 .
C206 C207 1.415(5) .
C206 C210 1.436(5) .
C207 C208 1.423(6) .
C207 H207 0.9500 .
C208 C209 1.402(8) .
C208 H208 0.9500 .
C209 C210 1.409(6) .
C209 H209 0.9500 .
C210 H210 0.9500 .
C21A H201 0.3689 .
C21B H204 0.4125 .
C212 C217 1.380(5) .
C212 C213 1.398(5) .
C213 C214 1.377(5) .
C213 H213 0.9500 .
C214 C215 1.383(6) .
C214 H214 0.9500 .
C215 C216 1.373(6) .
C215 H215 0.9500 .
C216 C217 1.391(5) .
C216 H216 0.9500 .
C217 H217 0.9500 .
C218 C219 1.390(5) .
C218 C223 1.394(5) .
C219 C220 1.389(6) .
C219 H219 0.9500 .
C220 C221 1.375(6) .
C220 H220 0.9500 .
C221 C222 1.387(6) .
C221 H221 0.9500 .
C222 C223 1.382(5) .
C222 H222 0.9500 .
C223 H223 0.9500 .
Si F3 1.669(2) .
Si F3 1.669(2) 5
Si F1 1.691(2) .
Si F1 1.691(2) 5
Si F2 1.704(2) 5
Si F2 1.704(2) .
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 0.500 0.323 0.250 350 118 ' '
2 1.000 0.823 0.250 350 118 ' '
3 0.500 0.677 0.750 350 118 ' '
4 1.000 0.177 0.750 350 118 ' '
