#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/09/7020924.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_7020924
loop_
_publ_author_name
'Štěpnička, Petr'
'Císařová, Ivana'
_publ_section_title
;
 Selective borane reduction of phosphinoferrocene carbaldehydes to
 phosphinoalcohol--borane adducts. The coordination behaviour of
 1-(diphenylphosphino)- 1′-(methoxymethyl)ferrocene, a new
 ferrocene O,P-hybrid donor prepared from such an adduct
;
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              3373
_journal_paper_doi               10.1039/c2dt32511j
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety
'C36 H40 Cl Fe N O P Ru, Sb F6, 0.5 (C H Cl3)'
_chemical_formula_sum            'C36.5 H40.5 Cl2.5 F6 Fe N O P Ru Sb'
_chemical_formula_weight         1021.46
_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
_cell_angle_alpha                96.764(4)
_cell_angle_beta                 97.044(5)
_cell_angle_gamma                111.478(6)
_cell_formula_units_Z            2
_cell_length_a                   10.5750(7)
_cell_length_b                   13.9675(8)
_cell_length_c                   14.6000(8)
_cell_measurement_reflns_used    40516
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      5.00
_cell_volume                     1960.5(2)
_computing_cell_refinement
'Dirax/lsq (Duisenberg & Schreurs, 1989-2000)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'EvalCCD (Duisenberg & Schreurs 1990-2000)'
_computing_molecular_graphics    'PLATON (Spek, 2001)'
_computing_publication_material  'PLATON (Spek, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare et al., 1994)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'ω and π scans to fill the Ewald sphere'
_diffrn_radiation_monochromator  'horizontally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0207
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            43999
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.43
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.700
_exptl_absorpt_correction_T_max  0.669
_exptl_absorpt_correction_T_min  0.553
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.730
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1014
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.426
_refine_diff_density_min         -1.617
_refine_diff_density_rms         0.094
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         8948
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0274
_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)+(0.0195P)²+4.2072P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0620
_refine_ls_wR_factor_ref         0.0698
_reflns_number_gt                7819
_reflns_number_total             8948
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt32511j.txt
_cod_data_source_block           ps314b
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C36.50 H40.50 Cl2.50 F6 Fe N O P Ru Sb'
_cod_database_code               7020924
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
Ru Ru 0.48588(2) 0.928813(15) 0.234149(14) 0.01477(5) Uani 1 1 d .
Fe Fe 0.02763(4) 0.72431(3) 0.37646(3) 0.01745(8) Uani 1 1 d .
Cl Cl 0.52534(8) 0.82760(5) 0.10535(5) 0.02702(15) Uani 1 1 d .
P P 0.29313(7) 0.77761(5) 0.23927(5) 0.01599(13) Uani 1 1 d .
N N 0.3615(2) 0.96229(17) 0.13534(15) 0.0199(5) Uani 1 1 d .
O O -0.2250(2) 0.46901(17) 0.50151(17) 0.0337(5) Uani 1 1 d .
C1 C 0.2189(3) 0.79152(19) 0.34257(18) 0.0167(5) Uani 1 1 d .
C2 C 0.2249(3) 0.7381(2) 0.42088(18) 0.0195(5) Uani 1 1 d .
H2 H 0.2554 0.6837 0.4230 0.023 Uiso 1 1 calc R
C3 C 0.1762(3) 0.7830(2) 0.49411(19) 0.0247(6) Uani 1 1 d .
H3 H 0.1690 0.7628 0.5523 0.030 Uiso 1 1 calc R
C4 C 0.1406(3) 0.8638(2) 0.4637(2) 0.0269(6) Uani 1 1 d .
H4 H 0.1060 0.9057 0.4984 0.032 Uiso 1 1 calc R
C5 C 0.1666(3) 0.8698(2) 0.3711(2) 0.0226(6) Uani 1 1 d .
H5 H 0.1522 0.9166 0.3348 0.027 Uiso 1 1 calc R
C6 C -0.1298(3) 0.6108(2) 0.4169(2) 0.0229(6) Uani 1 1 d .
C7 C -0.1701(3) 0.6935(2) 0.3954(2) 0.0278(6) Uani 1 1 d .
H7 H -0.1989 0.7344 0.4362 0.033 Uiso 1 1 calc R
C8 C -0.1586(3) 0.7025(3) 0.3004(2) 0.0313(7) Uani 1 1 d .
H8 H -0.1775 0.7509 0.2685 0.038 Uiso 1 1 calc R
C9 C -0.1134(3) 0.6252(2) 0.2628(2) 0.0285(6) Uani 1 1 d .
H9 H -0.0983 0.6133 0.2019 0.034 Uiso 1 1 calc R
C10 C -0.0952(3) 0.5690(2) 0.3349(2) 0.0250(6) Uani 1 1 d .
H10 H -0.0655 0.5139 0.3292 0.030 Uiso 1 1 calc R
C11 C -0.1254(3) 0.5722(2) 0.5084(2) 0.0283(6) Uani 1 1 d .
H11A H -0.0340 0.5733 0.5286 0.034 Uiso 1 1 calc R
H11B H -0.1423 0.6189 0.5555 0.034 Uiso 1 1 calc R
C12 C 0.1558(3) 0.7426(2) 0.13831(19) 0.0234(6) Uani 1 1 d .
C13 C 0.0632(3) 0.7926(3) 0.1341(2) 0.0313(7) Uani 1 1 d .
H13 H 0.0704 0.8437 0.1838 0.038 Uiso 1 1 calc R
C14 C -0.0402(4) 0.7659(3) 0.0554(3) 0.0441(9) Uani 1 1 d .
H14 H -0.1024 0.7988 0.0530 0.053 Uiso 1 1 calc R
C15 C -0.0506(4) 0.6909(3) -0.0188(3) 0.0497(11) Uani 1 1 d .
H15 H -0.1200 0.6729 -0.0709 0.060 Uiso 1 1 calc R
C16 C 0.0419(4) 0.6430(3) -0.0154(2) 0.0484(10) Uani 1 1 d .
H16 H 0.0349 0.5928 -0.0658 0.058 Uiso 1 1 calc R
C17 C 0.1466(3) 0.6682(3) 0.0626(2) 0.0331(7) Uani 1 1 d .
H17 H 0.2094 0.6358 0.0638 0.040 Uiso 1 1 calc R
C18 C 0.3232(3) 0.6578(2) 0.24444(18) 0.0196(5) Uani 1 1 d .
C19 C 0.4538(3) 0.6559(2) 0.2513(2) 0.0236(6) Uani 1 1 d .
H19 H 0.5294 0.7167 0.2510 0.028 Uiso 1 1 calc R
C20 C 0.4728(3) 0.5635(2) 0.2586(2) 0.0303(6) Uani 1 1 d .
H20 H 0.5608 0.5625 0.2625 0.036 Uiso 1 1 calc R
C21 C 0.3612(4) 0.4733(2) 0.2600(2) 0.0332(7) Uani 1 1 d .
H21 H 0.3745 0.4119 0.2662 0.040 Uiso 1 1 calc R
C22 C 0.2295(3) 0.4737(2) 0.2523(2) 0.0293(6) Uani 1 1 d .
H22 H 0.1543 0.4127 0.2527 0.035 Uiso 1 1 calc R
C23 C 0.2101(3) 0.5655(2) 0.2440(2) 0.0250(6) Uani 1 1 d .
H23 H 0.1216 0.5657 0.2382 0.030 Uiso 1 1 calc R
C24 C -0.3612(4) 0.4656(3) 0.4857(3) 0.0453(9) Uani 1 1 d .
H24A H -0.4251 0.3966 0.4878 0.068 Uiso 1 1 calc R
H24B H -0.3807 0.4828 0.4252 0.068 Uiso 1 1 calc R
H24C H -0.3704 0.5150 0.5332 0.068 Uiso 1 1 calc R
C25 C 0.6190(3) 1.1019(2) 0.26964(19) 0.0223(6) Uani 1 1 d .
C26 C 0.7037(3) 1.0456(2) 0.2613(2) 0.0239(6) Uani 1 1 d .
H26 H 0.7678 1.0618 0.2214 0.029 Uiso 1 1 calc R
C27 C 0.6930(3) 0.9636(2) 0.3135(2) 0.0232(6) Uani 1 1 d .
H27 H 0.7482 0.9257 0.3051 0.028 Uiso 1 1 calc R
C28 C 0.6014(3) 0.9385(2) 0.37704(18) 0.0196(5) Uani 1 1 d .
C29 C 0.5109(3) 0.9930(2) 0.38207(18) 0.0188(5) Uani 1 1 d .
H29 H 0.4456 0.9758 0.4210 0.023 Uiso 1 1 calc R
C30 C 0.5188(3) 1.0720(2) 0.32927(19) 0.0209(5) Uani 1 1 d .
H30 H 0.4577 1.1056 0.3331 0.025 Uiso 1 1 calc R
C31 C 0.6217(4) 1.1865(2) 0.2128(2) 0.0338(7) Uani 1 1 d .
H31 H 0.5265 1.1810 0.1955 0.041 Uiso 1 1 calc R
C32 C 0.7044(5) 1.2933(3) 0.2747(3) 0.0584(13) Uani 1 1 d .
H32A H 0.7032 1.3474 0.2401 0.088 Uiso 1 1 calc R
H32B H 0.7980 1.3003 0.2935 0.088 Uiso 1 1 calc R
H32C H 0.6637 1.2992 0.3293 0.088 Uiso 1 1 calc R
C33 C 0.6783(4) 1.1765(3) 0.1228(3) 0.0512(10) Uani 1 1 d .
H33A H 0.6682 1.2275 0.0870 0.077 Uiso 1 1 calc R
H33B H 0.6281 1.1077 0.0868 0.077 Uiso 1 1 calc R
H33C H 0.7743 1.1881 0.1380 0.077 Uiso 1 1 calc R
C34 C 0.6002(3) 0.8595(2) 0.4387(2) 0.0286(6) Uani 1 1 d .
H34A H 0.5091 0.8271 0.4523 0.043 Uiso 1 1 calc R
H34B H 0.6645 0.8937 0.4961 0.043 Uiso 1 1 calc R
H34C H 0.6263 0.8073 0.4070 0.043 Uiso 1 1 calc R
C35 C 0.2968(3) 0.9876(2) 0.08342(19) 0.0231(6) Uani 1 1 d .
C36 C 0.2123(3) 1.0207(3) 0.0184(2) 0.0353(7) Uani 1 1 d .
H36A H 0.1406 0.9603 -0.0204 0.053 Uiso 1 1 calc R
H36B H 0.2689 1.0624 -0.0202 0.053 Uiso 1 1 calc R
H36C H 0.1717 1.0611 0.0530 0.053 Uiso 1 1 calc R
Sb Sb 0.116669(19) 1.146482(14) 0.282025(14) 0.02341(5) Uani 1 1 d .
F1 F 0.2261(2) 1.06921(17) 0.26690(17) 0.0459(5) Uani 1 1 d .
F2 F 0.1924(3) 1.21889(19) 0.19013(17) 0.0625(7) Uani 1 1 d .
F3 F 0.2560(2) 1.2460(2) 0.37342(17) 0.0599(7) Uani 1 1 d .
F4 F 0.0414(3) 1.0717(2) 0.3724(2) 0.0708(8) Uani 1 1 d .
F5 F -0.0209(2) 1.04642(19) 0.18952(19) 0.0642(8) Uani 1 1 d .
F6 F 0.0057(2) 1.22275(18) 0.2957(2) 0.0593(7) Uani 1 1 d .
C90 C 0.4882(9) 1.4150(7) -0.0041(5) 0.0491(19) Uani 0.50 1 d P
H90 H 0.4819 1.3696 -0.0624 0.059 Uiso 0.50 1 d PR
Cl91 Cl 0.4167(3) 1.33243(19) 0.07470(15) 0.0620(6) Uani 0.50 1 d P
Cl92 Cl 0.6616(4) 1.4894(3) 0.0376(3) 0.0931(8) Uani 0.50 1 d P
Cl93 Cl 0.3909(4) 1.4860(3) -0.0300(3) 0.0931(8) Uani 0.50 1 d P
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'
Ru Ru -1.2594 0.8363 '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'
Cl Cl 0.1484 0.1585 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 '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'
N N 0.0061 0.0033 '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
N Ru C29 119.99(10) . .
N Ru C30 90.94(10) . .
C29 Ru C30 37.49(10) . .
N Ru C27 149.50(10) . .
C29 Ru C27 66.88(10) . .
C30 Ru C27 79.20(10) . .
N Ru C26 112.15(10) . .
C29 Ru C26 78.96(10) . .
C30 Ru C26 66.44(11) . .
C27 Ru C26 37.53(11) . .
N Ru C28 157.32(10) . .
C29 Ru C28 37.54(10) . .
C30 Ru C28 67.60(10) . .
C27 Ru C28 36.79(10) . .
C26 Ru C28 67.01(10) . .
N Ru C25 87.90(9) . .
C29 Ru C25 67.38(10) . .
C30 Ru C25 37.44(10) . .
C27 Ru C25 66.71(10) . .
C26 Ru C25 36.19(11) . .
C28 Ru C25 79.40(10) . .
N Ru P 87.54(6) . .
C29 Ru P 93.68(7) . .
C30 Ru P 117.78(8) . .
C27 Ru P 122.64(8) . .
C26 Ru P 160.15(8) . .
C28 Ru P 95.92(7) . .
C25 Ru P 154.68(8) . .
N Ru Cl 85.49(7) . .
C29 Ru Cl 154.52(7) . .
C30 Ru Cl 155.22(8) . .
C27 Ru Cl 91.57(8) . .
C26 Ru Cl 92.25(8) . .
C28 Ru Cl 117.04(7) . .
C25 Ru Cl 117.82(8) . .
P Ru Cl 86.61(3) . .
C7 Fe C8 40.89(13) . .
C7 Fe C2 152.13(12) . .
C8 Fe C2 165.90(12) . .
C7 Fe C3 116.34(12) . .
C8 Fe C3 152.65(13) . .
C2 Fe C3 40.76(11) . .
C7 Fe C6 40.91(12) . .
C8 Fe C6 68.72(12) . .
C2 Fe C6 118.43(11) . .
C3 Fe C6 103.79(12) . .
C7 Fe C5 123.90(12) . .
C8 Fe C5 108.95(12) . .
C2 Fe C5 68.89(11) . .
C3 Fe C5 68.42(12) . .
C6 Fe C5 159.38(12) . .
C7 Fe C1 163.09(11) . .
C8 Fe C1 127.86(12) . .
C2 Fe C1 41.43(10) . .
C3 Fe C1 69.23(11) . .
C6 Fe C1 155.85(11) . .
C5 Fe C1 41.19(11) . .
C7 Fe C4 104.12(13) . .
C8 Fe C4 119.50(13) . .
C2 Fe C4 68.58(12) . .
C3 Fe C4 40.53(12) . .
C6 Fe C4 121.33(12) . .
C5 Fe C4 40.61(12) . .
C1 Fe C4 69.12(11) . .
C7 Fe C10 68.29(13) . .
C8 Fe C10 68.12(13) . .
C2 Fe C10 108.64(12) . .
C3 Fe C10 124.04(12) . .
C6 Fe C10 40.57(11) . .
C5 Fe C10 159.25(12) . .
C1 Fe C10 123.26(11) . .
C4 Fe C10 159.35(12) . .
C7 Fe C9 68.34(13) . .
C8 Fe C9 40.39(14) . .
C2 Fe C9 128.40(12) . .
C3 Fe C9 162.97(13) . .
C6 Fe C9 68.40(12) . .
C5 Fe C9 123.99(12) . .
C1 Fe C9 111.37(11) . .
C4 Fe C9 156.46(13) . .
C10 Fe C9 40.45(12) . .
C1 P C12 107.14(13) . .
C1 P C18 102.65(12) . .
C12 P C18 104.02(13) . .
C1 P Ru 112.08(8) . .
C12 P Ru 113.07(9) . .
C18 P Ru 116.86(9) . .
C35 N Ru 175.5(2) . .
C24 O C11 111.7(3) . .
C5 C1 C2 106.5(2) . .
C5 C1 P 127.1(2) . .
C2 C1 P 125.5(2) . .
C5 C1 Fe 69.37(15) . .
C2 C1 Fe 69.05(14) . .
P C1 Fe 134.82(14) . .
C3 C2 C1 108.2(2) . .
C3 C2 Fe 69.63(16) . .
C1 C2 Fe 69.53(14) . .
C3 C2 H2 125.9 . .
C1 C2 H2 125.9 . .
Fe C2 H2 126.5 . .
C4 C3 C2 108.5(3) . .
C4 C3 Fe 69.99(16) . .
C2 C3 Fe 69.62(15) . .
C4 C3 H3 125.7 . .
C2 C3 H3 125.7 . .
Fe C3 H3 126.2 . .
C3 C4 C5 108.2(3) . .
C3 C4 Fe 69.48(16) . .
C5 C4 Fe 69.64(16) . .
C3 C4 H4 125.9 . .
C5 C4 H4 125.9 . .
Fe C4 H4 126.6 . .
C4 C5 C1 108.6(2) . .
C4 C5 Fe 69.75(16) . .
C1 C5 Fe 69.45(15) . .
C4 C5 H5 125.7 . .
C1 C5 H5 125.7 . .
Fe C5 H5 126.7 . .
C10 C6 C7 107.6(3) . .
C10 C6 C11 125.1(3) . .
C7 C6 C11 127.3(3) . .
C10 C6 Fe 70.04(15) . .
C7 C6 Fe 69.41(16) . .
C11 C6 Fe 126.5(2) . .
C8 C7 C6 107.8(3) . .
C8 C7 Fe 69.57(17) . .
C6 C7 Fe 69.69(16) . .
C8 C7 H7 126.1 . .
C6 C7 H7 126.1 . .
Fe C7 H7 126.2 . .
C9 C8 C7 108.3(3) . .
C9 C8 Fe 70.59(17) . .
C7 C8 Fe 69.54(17) . .
C9 C8 H8 125.8 . .
C7 C8 H8 125.8 . .
Fe C8 H8 125.6 . .
C8 C9 C10 107.7(3) . .
C8 C9 Fe 69.02(17) . .
C10 C9 Fe 69.43(16) . .
C8 C9 H9 126.1 . .
C10 C9 H9 126.1 . .
Fe C9 H9 127.0 . .
C6 C10 C9 108.6(3) . .
C6 C10 Fe 69.40(16) . .
C9 C10 Fe 70.11(16) . .
C6 C10 H10 125.7 . .
C9 C10 H10 125.7 . .
Fe C10 H10 126.3 . .
O C11 C6 112.1(2) . .
O C11 H11A 109.2 . .
C6 C11 H11A 109.2 . .
O C11 H11B 109.2 . .
C6 C11 H11B 109.2 . .
H11A C11 H11B 107.9 . .
C17 C12 C13 119.6(3) . .
C17 C12 P 119.6(2) . .
C13 C12 P 120.7(2) . .
C12 C13 C14 119.9(3) . .
C12 C13 H13 120.0 . .
C14 C13 H13 120.0 . .
C15 C14 C13 120.3(4) . .
C15 C14 H14 119.8 . .
C13 C14 H14 119.8 . .
C16 C15 C14 119.7(3) . .
C16 C15 H15 120.1 . .
C14 C15 H15 120.1 . .
C15 C16 C17 121.2(4) . .
C15 C16 H16 119.4 . .
C17 C16 H16 119.4 . .
C12 C17 C16 119.2(4) . .
C12 C17 H17 120.4 . .
C16 C17 H17 120.4 . .
C19 C18 C23 119.3(3) . .
C19 C18 P 122.2(2) . .
C23 C18 P 118.4(2) . .
C18 C19 C20 120.3(3) . .
C18 C19 H19 119.8 . .
C20 C19 H19 119.8 . .
C21 C20 C19 120.0(3) . .
C21 C20 H20 120.0 . .
C19 C20 H20 120.0 . .
C20 C21 C22 120.3(3) . .
C20 C21 H21 119.9 . .
C22 C21 H21 119.9 . .
C23 C22 C21 119.8(3) . .
C23 C22 H22 120.1 . .
C21 C22 H22 120.1 . .
C22 C23 C18 120.2(3) . .
C22 C23 H23 119.9 . .
C18 C23 H23 119.9 . .
O C24 H24A 109.5 . .
O C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
O C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C26 C25 C30 117.8(3) . .
C26 C25 C31 122.9(3) . .
C30 C25 C31 119.2(3) . .
C26 C25 Ru 70.77(15) . .
C30 C25 Ru 68.20(15) . .
C31 C25 Ru 128.52(19) . .
C25 C26 C27 120.7(3) . .
C25 C26 Ru 73.04(15) . .
C27 C26 Ru 69.89(15) . .
C25 C26 H26 119.6 . .
C27 C26 H26 119.6 . .
Ru C26 H26 130.0 . .
C28 C27 C26 121.8(3) . .
C28 C27 Ru 73.42(15) . .
C26 C27 Ru 72.58(15) . .
C28 C27 H27 119.1 . .
C26 C27 H27 119.1 . .
Ru C27 H27 127.0 . .
C27 C28 C29 117.1(2) . .
C27 C28 C34 121.7(3) . .
C29 C28 C34 121.2(3) . .
C27 C28 Ru 69.78(15) . .
C29 C28 Ru 68.80(14) . .
C34 C28 Ru 133.74(19) . .
C30 C29 C28 121.1(3) . .
C30 C29 Ru 71.26(15) . .
C28 C29 Ru 73.65(15) . .
C30 C29 H29 119.4 . .
C28 C29 H29 119.4 . .
Ru C29 H29 127.8 . .
C29 C30 C25 121.2(3) . .
C29 C30 Ru 71.25(15) . .
C25 C30 Ru 74.36(16) . .
C29 C30 H30 119.4 . .
C25 C30 H30 119.4 . .
Ru C30 H30 127.0 . .
C25 C31 C33 113.5(3) . .
C25 C31 C32 108.9(3) . .
C33 C31 C32 111.0(3) . .
C25 C31 H31 107.7 . .
C33 C31 H31 107.7 . .
C32 C31 H31 107.7 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C28 C34 H34A 109.5 . .
C28 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C28 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
N C35 C36 178.7(3) . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
F4 Sb F2 178.79(12) . .
F4 Sb F3 90.90(13) . .
F2 Sb F3 89.76(12) . .
F4 Sb F6 89.75(13) . .
F2 Sb F6 91.25(13) . .
F3 Sb F6 90.04(11) . .
F4 Sb F1 90.43(11) . .
F2 Sb F1 88.56(11) . .
F3 Sb F1 90.67(11) . .
F6 Sb F1 179.26(11) . .
F4 Sb F5 89.58(14) . .
F2 Sb F5 89.74(13) . .
F3 Sb F5 179.13(11) . .
F6 Sb F5 90.68(11) . .
F1 Sb F5 88.61(11) . .
Cl93 C90 Cl93 88.9(5) 2_685 .
Cl93 C90 Cl92 114.5(6) . .
Cl93 C90 Cl91 120.4(5) 2_685 .
Cl93 C90 Cl91 110.1(5) . .
Cl92 C90 Cl91 110.8(5) . .
Cl93 C90 H90 121.0 2_685 .
Cl93 C90 H90 107.1 . .
Cl92 C90 H90 107.3 . .
Cl91 C90 H90 106.8 . .
Cl93 Cl92 C90 58.0(6) 2_685 .
Cl92 Cl93 C90 96.2(7) 2_685 2_685
Cl92 Cl93 C90 169.8(8) 2_685 .
C90 Cl93 C90 91.1(5) 2_685 .
Cl92 Cl93 Cl93 145.4(7) 2_685 2_685
C90 Cl93 Cl93 49.8(4) 2_685 2_685
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru N 2.043(2) .
Ru C29 2.183(3) .
Ru C30 2.184(3) .
Ru C27 2.200(3) .
Ru C26 2.236(3) .
Ru C28 2.247(2) .
Ru C25 2.265(3) .
Ru P 2.3543(7) .
Ru Cl 2.3890(7) .
Fe C7 2.036(3) .
Fe C8 2.037(3) .
Fe C2 2.038(3) .
Fe C3 2.038(3) .
Fe C6 2.040(3) .
Fe C5 2.044(3) .
Fe C1 2.045(3) .
Fe C4 2.045(3) .
Fe C10 2.048(3) .
Fe C9 2.057(3) .
P C1 1.806(3) .
P C12 1.818(3) .
P C18 1.823(3) .
N C35 1.131(4) .
O C24 1.413(4) .
O C11 1.423(4) .
C1 C5 1.438(4) .
C1 C2 1.444(4) .
C2 C3 1.420(4) .
C2 H2 0.9300 .
C3 C4 1.415(4) .
C3 H3 0.9300 .
C4 C5 1.419(4) .
C4 H4 0.9300 .
C5 H5 0.9300 .
C6 C10 1.417(4) .
C6 C7 1.424(4) .
C6 C11 1.501(4) .
C7 C8 1.423(4) .
C7 H7 0.9300 .
C8 C9 1.413(5) .
C8 H8 0.9300 .
C9 C10 1.420(4) .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C17 1.393(4) .
C12 C13 1.395(4) .
C13 C14 1.396(4) .
C13 H13 0.9300 .
C14 C15 1.379(6) .
C14 H14 0.9300 .
C15 C16 1.372(6) .
C15 H15 0.9300 .
C16 C17 1.398(5) .
C16 H16 0.9300 .
C17 H17 0.9300 .
C18 C19 1.383(4) .
C18 C23 1.400(4) .
C19 C20 1.391(4) .
C19 H19 0.9300 .
C20 C21 1.380(4) .
C20 H20 0.9300 .
C21 C22 1.387(5) .
C21 H21 0.9300 .
C22 C23 1.386(4) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 C26 1.398(4) .
C25 C30 1.430(4) .
C25 C31 1.516(4) .
C26 C27 1.427(4) .
C26 H26 0.9300 .
C27 C28 1.404(4) .
C27 H27 0.9300 .
C28 C29 1.427(4) .
C28 C34 1.501(4) .
C29 C30 1.403(4) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C33 1.521(5) .
C31 C32 1.530(4) .
C31 H31 0.9800 .
C32 H32A 0.9600 .
C32 H32B 0.9600 .
C32 H32C 0.9600 .
C33 H33A 0.9600 .
C33 H33B 0.9600 .
C33 H33C 0.9600 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 C36 1.453(4) .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
Sb F4 1.855(2) .
Sb F2 1.858(2) .
Sb F3 1.862(2) .
Sb F6 1.864(2) .
Sb F1 1.8642(19) .
Sb F5 1.865(2) .
C90 Cl93 1.477(10) 2_685
C90 Cl93 1.710(9) .
C90 Cl92 1.731(9) .
C90 Cl91 1.765(9) .
C90 H90 0.9800 .
Cl92 Cl93 0.757(4) 2_685
Cl93 Cl92 0.757(4) 2_685
Cl93 C90 1.477(10) 2_685
Cl93 Cl93 2.237(8) 2_685
