data_1101161
_journal_name_full   'Inorganic Chemistry'
_publ_section_title
;
Ten-Vertex Iron-Monocarborane Complexes: Synthesis and Reactivity of
 the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
;
loop_
_publ_author_name
  'Franken, Andreas'
  'McGrath, Thomas D.'
'Stone, F. Gordon A.'
_chemical_formula_sum  'C31 H38 Ag B8 Fe2 O7 P'
_chemical_formula_weight  859.63
_symmetry_cell_setting  'Triclinic'
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  11.5823(17)
_cell_length_b  12.8429(19)
_cell_length_c  14.420(2)
_cell_angle_alpha  97.590(4)
_cell_angle_beta  112.387(4)
_cell_angle_gamma  104.934(4)
_cell_volume  1851.6(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  110(2)
_exptl_crystal_density_diffrn  1.542
_diffrn_ambient_temperature  110(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
Fe1 Fe 0.05223(2) 0.55665(2) 0.341948(19) 0.01560(6) Uani 1 1 d . . .
Fe2 Fe 0.28381(2) 0.58488(2) 0.321191(19) 0.01562(6) Uani 1 1 d . . .
B1 B 0.07551(19) 0.75138(16) 0.20512(16) 0.0158(4) Uani 1 1 d . . .
H1 H 0.150(2) 0.8199(17) 0.2046(16) 0.019 Uiso 1 1 d . . .
B2 B -0.0850(2) 0.71044(17) 0.10723(17) 0.0192(4) Uani 1 1 d . . .
H2 H -0.119(2) 0.7507(17) 0.0451(17) 0.023 Uiso 1 1 d . . .
B3 B 0.00158(19) 0.61756(16) 0.11012(15) 0.0156(4) Uani 1 1 d . . .
H3 H 0.030(2) 0.6000(17) 0.0488(16) 0.019 Uiso 1 1 d . . .
B4 B 0.10125(18) 0.62898(15) 0.24230(15) 0.0143(3) Uani 1 1 d . . .
B5 B -0.0548(2) 0.77608(17) 0.23531(17) 0.0197(4) Uani 1 1 d . . .
H5 H -0.056(2) 0.8590(18) 0.2531(16) 0.024 Uiso 1 1 d . . .
H1M H -0.033(2) 0.7377(17) 0.3143(17) 0.024 Uiso 1 1 d . . .
C6 C -0.20004(18) 0.67144(16) 0.14914(16) 0.0217(4) Uani 1 1 d . . .
H62 H -0.216(2) 0.6415(19) 0.1985(18) 0.026 Uiso 1 1 d . . .
H61 H -0.268(2) 0.6915(18) 0.1137(18) 0.026 Uiso 1 1 d . . .
B7 B -0.1711(2) 0.56495(17) 0.08478(17) 0.0198(4) Uani 1 1 d . . .
H7 H -0.245(2) 0.5164(17) 0.0086(17) 0.024 Uiso 1 1 d . . .
B8 B -0.04410(19) 0.51004(16) 0.16903(16) 0.0165(4) Uani 1 1 d . . .
H8 H -0.053(2) 0.4275(17) 0.1291(16) 0.020 Uiso 1 1 d . . .
H2M H -0.160(2) 0.5062(17) 0.1481(16) 0.020 Uiso 1 1 d . . .
B10 B 0.0782(2) 0.73005(16) 0.32544(16) 0.0167(4) Uani 1 1 d . . .
H10 H 0.147(2) 0.7937(17) 0.3923(16) 0.020 Uiso 1 1 d . . .
C11 C 0.02677(19) 0.41052(16) 0.33471(15) 0.0228(4) Uani 1 1 d . . .
O11 O 0.00515(16) 0.31739(12) 0.32775(13) 0.0360(4) Uani 1 1 d . . .
C12 C -0.10016(19) 0.54979(15) 0.34658(15) 0.0207(4) Uani 1 1 d . . .
O12 O -0.19763(14) 0.54671(12) 0.35117(12) 0.0305(3) Uani 1 1 d . . .
C13 C 0.14946(19) 0.62097(16) 0.47837(15) 0.0225(4) Uani 1 1 d . . .
O13 O 0.20852(17) 0.66556(13) 0.56445(11) 0.0355(4) Uani 1 1 d . . .
C21 C 0.33153(19) 0.52681(17) 0.43246(16) 0.0253(4) Uani 1 1 d . . .
O21 O 0.36457(16) 0.49071(14) 0.50214(13) 0.0379(4) Uani 1 1 d . . .
C22 C 0.35282(18) 0.72968(16) 0.39401(14) 0.0207(4) Uani 1 1 d . . .
O22 O 0.40415(14) 0.82063(12) 0.44031(11) 0.0281(3) Uani 1 1 d . . .
C23 C 0.20166(18) 0.45256(15) 0.22375(15) 0.0207(4) Uani 1 1 d . . .
O23 O 0.16027(14) 0.36827(11) 0.16518(12) 0.0295(3) Uani 1 1 d . . .
C24 C 0.42755(19) 0.59979(16) 0.29670(16) 0.0233(4) Uani 1 1 d . . .
O24 O 0.52029(15) 0.60414(13) 0.28437(13) 0.0343(4) Uani 1 1 d . . .
Ag1 Ag 0.256803(13) 0.677333(11) 0.161757(11) 0.01885(4) Uani 1 1 d . . .
P1 P 0.36331(4) 0.80541(4) 0.08888(4) 0.01506(9) Uani 1 1 d . . .
C111 C 0.51969(17) 0.90482(14) 0.18778(14) 0.0171(3) Uani 1 1 d . . .
C112 C 0.63450(18) 0.93632(15) 0.17278(15) 0.0209(4) Uani 1 1 d . . .
H112 H 0.6337 0.9041 0.1092 0.025 Uiso 1 1 calc R . .
C113 C 0.75038(19) 1.01504(16) 0.25093(16) 0.0265(4) Uani 1 1 d . . .
H113 H 0.8284 1.0362 0.2404 0.032 Uiso 1 1 calc R . .
C114 C 0.7528(2) 1.06255(17) 0.34353(16) 0.0287(4) Uani 1 1 d . . .
H114 H 0.8320 1.1163 0.3964 0.034 Uiso 1 1 calc R . .
C115 C 0.6387(2) 1.03137(18) 0.35908(16) 0.0314(5) Uani 1 1 d . . .
H115 H 0.6400 1.0641 0.4227 0.038 Uiso 1 1 calc R . .
C116 C 0.5231(2) 0.95271(17) 0.28208(16) 0.0259(4) Uani 1 1 d . . .
H116 H 0.4457 0.9312 0.2934 0.031 Uiso 1 1 calc R . .
C121 C 0.26332(17) 0.88952(14) 0.03372(14) 0.0161(3) Uani 1 1 d . . .
C122 C 0.31352(18) 1.00531(15) 0.05876(15) 0.0205(4) Uani 1 1 d . . .
H122 H 0.4033 1.0439 0.1070 0.025 Uiso 1 1 calc R . .
C123 C 0.23176(19) 1.06470(15) 0.01286(16) 0.0234(4) Uani 1 1 d . . .
H123 H 0.2658 1.1439 0.0306 0.028 Uiso 1 1 calc R . .
C124 C 0.10121(19) 1.00900(15) -0.05841(15) 0.0219(4) Uani 1 1 d . . .
H124 H 0.0463 1.0499 -0.0902 0.026 Uiso 1 1 calc R . .
C125 C 0.05071(19) 0.89341(16) -0.08333(16) 0.0241(4) Uani 1 1 d . . .
H125 H -0.0386 0.8550 -0.1326 0.029 Uiso 1 1 calc R . .
C126 C 0.13078(18) 0.83407(15) -0.03612(15) 0.0219(4) Uani 1 1 d . . .
H126 H 0.0951 0.7551 -0.0514 0.026 Uiso 1 1 calc R . .
C131 C 0.40039(16) 0.74802(14) -0.01442(13) 0.0155(3) Uani 1 1 d . . .
C132 C 0.36737(18) 0.78016(15) -0.10702(14) 0.0206(4) Uani 1 1 d . . .
H132 H 0.3259 0.8353 -0.1172 0.025 Uiso 1 1 calc R . .
C133 C 0.3950(2) 0.73182(17) -0.18475(15) 0.0248(4) Uani 1 1 d . . .
H133 H 0.3720 0.7539 -0.2479 0.030 Uiso 1 1 calc R . .
C134 C 0.45580(19) 0.65165(16) -0.17052(16) 0.0253(4) Uani 1 1 d . . .
H134 H 0.4745 0.6188 -0.2238 0.030 Uiso 1 1 calc R . .
C135 C 0.48933(19) 0.61942(16) -0.07852(16) 0.0240(4) Uani 1 1 d . . .
H135 H 0.5318 0.5649 -0.0684 0.029 Uiso 1 1 calc R . .
C136 C 0.46090(17) 0.66681(15) -0.00097(15) 0.0193(3) Uani 1 1 d . . .
H136 H 0.4829 0.6437 0.0616 0.023 Uiso 1 1 calc R . .
C100 C 0.6348(3) 0.7967(3) 0.6829(2) 0.0646(9) Uani 1 1 d . . .
H10A H 0.6099 0.8256 0.7362 0.097 Uiso 1 1 calc R A 1
H10B H 0.6839 0.7463 0.7069 0.097 Uiso 1 1 calc R A 1
H10C H 0.5545 0.7559 0.6187 0.097 Uiso 1 1 calc R A 1
C101 C 0.7223(3) 0.8942(3) 0.6623(2) 0.0619(9) Uani 0.576(6) 1 d PD B 1
H10D H 0.8061 0.9362 0.7247 0.074 Uiso 0.576(6) 1 calc PR B 1
H10E H 0.6752 0.9457 0.6353 0.074 Uiso 0.576(6) 1 calc PR B 1
C102 C 0.7461(4) 0.8224(4) 0.5745(4) 0.0431(13) Uani 0.576(6) 1 d PD B 1
H10F H 0.7759 0.7614 0.5994 0.052 Uiso 0.576(6) 1 calc PR B 1
H10G H 0.6621 0.7887 0.5105 0.052 Uiso 0.576(6) 1 calc PR B 1
C103 C 0.8505(4) 0.8982(3) 0.5513(3) 0.0363(11) Uani 0.576(6) 1 d PD B 1
H10H H 0.9382 0.9229 0.6118 0.044 Uiso 0.576(6) 1 calc PR B 1
H10I H 0.8274 0.9650 0.5359 0.044 Uiso 0.576(6) 1 calc PR B 1
C104 C 0.8547(3) 0.8318(3) 0.4575(2) 0.0603(8) Uani 0.576(6) 1 d PD B 1
H10J H 0.9211 0.8788 0.4404 0.091 Uiso 0.576(6) 1 calc PR B 1
H10K H 0.7674 0.8076 0.3981 0.091 Uiso 0.576(6) 1 calc PR B 1
H10L H 0.8784 0.7663 0.4738 0.091 Uiso 0.576(6) 1 calc PR B 1
C201 C 0.7223(3) 0.8942(3) 0.6623(2) 0.0619(9) Uani 0.424(6) 1 d PD B 2
H20A H 0.6603 0.9285 0.6202 0.074 Uiso 0.424(6) 1 calc PR B 2
H20B H 0.7764 0.9490 0.7308 0.074 Uiso 0.424(6) 1 calc PR B 2
C202 C 0.8154(6) 0.8938(5) 0.6144(5) 0.0429(17) Uani 0.424(6) 1 d PD B 2
H20C H 0.8855 0.8666 0.6569 0.051 Uiso 0.424(6) 1 calc PR B 2
H20D H 0.8586 0.9711 0.6144 0.051 Uiso 0.424(6) 1 calc PR B 2
C203 C 0.7474(5) 0.8217(4) 0.5051(4) 0.0328(14) Uani 0.424(6) 1 d PD B 2
H20E H 0.6747 0.8462 0.4624 0.039 Uiso 0.424(6) 1 calc PR B 2
H20F H 0.7089 0.7432 0.5045 0.039 Uiso 0.424(6) 1 calc PR B 2
C204 C 0.8547(3) 0.8318(3) 0.4575(2) 0.0603(8) Uani 0.424(6) 1 d PD B 2
H20G H 0.8112 0.7849 0.3861 0.091 Uiso 0.424(6) 1 calc PR B 2
H20H H 0.9261 0.8070 0.4998 0.091 Uiso 0.424(6) 1 calc PR B 2
H20I H 0.8919 0.9096 0.4578 0.091 Uiso 0.424(6) 1 calc PR B 2
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Fe1 0.01726(12) 0.01556(11) 0.01525(12) 0.00554(9) 0.00818(10) 0.00498(9)
Fe2 0.01524(12) 0.01668(12) 0.01544(12) 0.00577(9) 0.00591(10) 0.00647(9)
B1 0.0163(9) 0.0135(8) 0.0183(9) 0.0041(7) 0.0078(8) 0.0054(7)
B2 0.0190(9) 0.0186(9) 0.0212(10) 0.0070(8) 0.0077(8) 0.0089(7)
B3 0.0165(9) 0.0147(8) 0.0150(9) 0.0038(7) 0.0065(8) 0.0051(7)
B4 0.0136(8) 0.0137(8) 0.0157(9) 0.0037(7) 0.0064(7) 0.0048(6)
B5 0.0212(10) 0.0173(9) 0.0226(10) 0.0049(8) 0.0100(9) 0.0091(7)
C6 0.0163(8) 0.0255(9) 0.0252(10) 0.0072(8) 0.0086(8) 0.0104(7)
B7 0.0167(9) 0.0196(9) 0.0207(10) 0.0056(8) 0.0058(8) 0.0058(7)
B8 0.0145(9) 0.0148(8) 0.0174(9) 0.0031(7) 0.0057(8) 0.0031(7)
B10 0.0192(9) 0.0149(8) 0.0175(9) 0.0034(7) 0.0092(8) 0.0066(7)
C11 0.0248(9) 0.0245(9) 0.0243(9) 0.0107(8) 0.0134(8) 0.0099(7)
O11 0.0445(9) 0.0225(7) 0.0498(10) 0.0171(7) 0.0258(8) 0.0128(7)
C12 0.0245(9) 0.0177(8) 0.0205(9) 0.0066(7) 0.0111(8) 0.0052(7)
O12 0.0275(7) 0.0315(8) 0.0403(9) 0.0128(7) 0.0219(7) 0.0092(6)
C13 0.0268(10) 0.0217(9) 0.0216(9) 0.0089(7) 0.0125(8) 0.0073(7)
O13 0.0450(9) 0.0364(8) 0.0175(7) 0.0048(6) 0.0087(7) 0.0099(7)
C21 0.0222(9) 0.0294(10) 0.0262(10) 0.0115(8) 0.0097(8) 0.0108(8)
O21 0.0366(9) 0.0536(10) 0.0353(9) 0.0297(8) 0.0158(8) 0.0245(8)
C22 0.0161(8) 0.0276(9) 0.0178(9) 0.0065(7) 0.0065(7) 0.0074(7)
O22 0.0221(7) 0.0269(7) 0.0263(7) -0.0023(6) 0.0077(6) 0.0029(6)
C23 0.0190(8) 0.0222(9) 0.0234(9) 0.0095(7) 0.0088(8) 0.0099(7)
O23 0.0286(7) 0.0219(7) 0.0328(8) 0.0017(6) 0.0090(7) 0.0099(6)
C24 0.0211(9) 0.0227(9) 0.0256(10) 0.0061(7) 0.0086(8) 0.0089(7)
O24 0.0265(8) 0.0412(9) 0.0435(9) 0.0120(7) 0.0202(7) 0.0160(7)
Ag1 0.01925(7) 0.02049(7) 0.02190(7) 0.01065(5) 0.01207(6) 0.00722(5)
P1 0.0152(2) 0.01500(19) 0.0175(2) 0.00629(16) 0.00865(18) 0.00560(15)
C111 0.0181(8) 0.0167(8) 0.0182(8) 0.0064(6) 0.0081(7) 0.0072(6)
C112 0.0196(9) 0.0231(9) 0.0201(9) 0.0053(7) 0.0092(8) 0.0066(7)
C113 0.0190(9) 0.0256(9) 0.0284(10) 0.0049(8) 0.0068(8) 0.0034(7)
C114 0.0248(10) 0.0265(10) 0.0244(10) 0.0008(8) 0.0020(8) 0.0082(8)
C115 0.0351(12) 0.0334(11) 0.0219(10) -0.0013(8) 0.0107(9) 0.0121(9)
C116 0.0275(10) 0.0298(10) 0.0237(10) 0.0047(8) 0.0150(9) 0.0098(8)
C121 0.0166(8) 0.0159(7) 0.0200(8) 0.0070(6) 0.0103(7) 0.0072(6)
C122 0.0196(9) 0.0176(8) 0.0240(9) 0.0057(7) 0.0099(8) 0.0046(7)
C123 0.0277(10) 0.0154(8) 0.0312(10) 0.0083(7) 0.0155(9) 0.0084(7)
C124 0.0242(9) 0.0208(9) 0.0282(10) 0.0116(7) 0.0139(8) 0.0126(7)
C125 0.0194(9) 0.0218(9) 0.0284(10) 0.0072(8) 0.0065(8) 0.0084(7)
C126 0.0211(9) 0.0145(8) 0.0278(10) 0.0053(7) 0.0083(8) 0.0058(7)
C131 0.0134(7) 0.0147(7) 0.0177(8) 0.0047(6) 0.0066(7) 0.0038(6)
C132 0.0214(9) 0.0202(8) 0.0193(9) 0.0049(7) 0.0076(8) 0.0075(7)
C133 0.0263(10) 0.0284(10) 0.0163(9) 0.0037(7) 0.0078(8) 0.0070(8)
C134 0.0226(9) 0.0258(9) 0.0234(10) -0.0024(7) 0.0107(8) 0.0052(7)
C135 0.0216(9) 0.0200(9) 0.0305(10) 0.0032(8) 0.0114(8) 0.0087(7)
C136 0.0167(8) 0.0191(8) 0.0227(9) 0.0073(7) 0.0081(7) 0.0066(6)
C100 0.064(2) 0.080(2) 0.0431(17) 0.0215(16) 0.0136(16) 0.0257(18)
C101 0.0480(17) 0.100(3) 0.0435(16) 0.0214(17) 0.0204(14) 0.0313(17)
C102 0.033(2) 0.043(3) 0.056(3) 0.013(2) 0.020(2) 0.014(2)
C103 0.033(2) 0.039(2) 0.033(2) 0.0095(17) 0.0124(18) 0.0104(17)
C104 0.073(2) 0.068(2) 0.0573(19) 0.0122(16) 0.0387(18) 0.0370(17)
C201 0.0480(17) 0.100(3) 0.0435(16) 0.0214(17) 0.0204(14) 0.0313(17)
C202 0.037(3) 0.032(3) 0.042(4) 0.000(2) 0.012(3) -0.004(2)
C203 0.029(3) 0.033(3) 0.038(3) 0.011(2) 0.015(2) 0.011(2)
C204 0.073(2) 0.068(2) 0.0573(19) 0.0122(16) 0.0387(18) 0.0370(17)
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
Fe1 C12 1.772(2) . ?
Fe1 C13 1.796(2) . ?
Fe1 C11 1.8054(19) . ?
Fe1 B4 1.9881(19) . ?
Fe1 B10 2.226(2) . ?
Fe1 B8 2.228(2) . ?
Fe1 Fe2 2.7485(5) . ?
Fe2 C24 1.799(2) . ?
Fe2 C22 1.811(2) . ?
Fe2 C23 1.813(2) . ?
Fe2 C21 1.814(2) . ?
Fe2 B4 2.245(2) . ?
Fe2 Ag1 2.6755(4) . ?
B1 H1 1.07(2) . ?
B1 B2 1.740(3) . ?
B1 B10 1.782(3) . ?
B1 B4 1.786(3) . ?
B1 B5 1.810(3) . ?
B1 B3 1.814(3) . ?
B1 Ag1 2.753(2) . ?
B2 C6 1.655(3) . ?
B2 B3 1.740(3) . ?
B2 B5 1.786(3) . ?
B2 B7 1.796(3) . ?
B3 H3 1.07(2) . ?
B3 B4 1.775(3) . ?
B3 B8 1.784(3) . ?
B3 B7 1.809(3) . ?
B3 Ag1 2.624(2) . ?
B4 B8 1.782(3) . ?
B4 B10 1.790(3) . ?
B4 Ag1 2.4876(19) . ?
B5 C6 1.727(3) . ?
B5 B10 1.886(3) . ?
C6 B7 1.727(3) . ?
B7 B8 1.881(3) . ?
C11 O11 1.139(2) . ?
C12 O12 1.147(2) . ?
C13 O13 1.140(2) . ?
C21 O21 1.137(2) . ?
C22 O22 1.139(2) . ?
C23 O23 1.139(2) . ?
C24 O24 1.143(2) . ?
C24 Ag1 2.699(2) . ?
Ag1 H3 2.35(2) . ?
Ag1 P1 2.3938(5) . ?
Ag1 H1 2.59(2) . ?
P1 C111 1.8178(18) . ?
P1 C131 1.8185(18) . ?
P1 C121 1.8195(18) . ?
C111 C112 1.394(2) . ?
C111 C116 1.398(3) . ?
C112 C113 1.393(3) . ?
C113 C114 1.380(3) . ?
C114 C115 1.390(3) . ?
C115 C116 1.385(3) . ?
C121 C122 1.390(2) . ?
C121 C126 1.396(2) . ?
C122 C123 1.395(3) . ?
C123 C124 1.385(3) . ?
C124 C125 1.388(3) . ?
C125 C126 1.387(3) . ?
C131 C132 1.392(2) . ?
C131 C136 1.394(2) . ?
C132 C133 1.391(3) . ?
C133 C134 1.385(3) . ?
C134 C135 1.385(3) . ?
C135 C136 1.391(3) . ?
C100 C101 1.535(5) . ?
C101 C102 1.618(6) . ?
C102 C103 1.520(6) . ?
C103 C104 1.525(5) . ?
C202 C203 1.501(8) . ?