#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:08:07 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179678 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/00/7000015.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_7000015
loop_
_publ_author_name
'Dennett, James N. L.'
'Knox, Selby A. R.'
'Anderson, Kirsty M.'
'Charmant, Jonathan P. H.'
'Orpen, A. Guy'
_publ_section_title
;
 The synthesis of [FeRu(CO)2(mu-CO)2(eta-C5H5)(eta-C5Me5)] and
 convenient entries to its organometallic chemistry.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              63
_journal_page_last               73
_journal_paper_doi               10.1039/b414412k
_journal_year                    2005
_chemical_formula_moiety         'C20 H23 Fe O3 Ru, B F4'
_chemical_formula_sum            'C20 H23 B F4 Fe O3 Ru'
_chemical_formula_weight         555.11
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.9120(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   24.5308(2)
_cell_length_b                   12.6289(2)
_cell_length_c                   15.15240(10)
_cell_measurement_reflns_used    164
_cell_measurement_temperature    173(2)
_cell_volume                     4257.40(9)
_computing_cell_refinement       'SAINT (Bruker-AXS, 1996)'
_computing_data_collection       'SMART (Bruker-AXS, 1996)'
_computing_data_reduction        'SAINT and SHELXTL (Bruker-AXS, 1996)'
_computing_molecular_graphics    'SHELXTL (Bruker-AXS, 1996)'
_computing_publication_material  'SHELXTL (Bruker-AXS, 1996)'
_computing_structure_refinement  'SHELXTL (Bruker-AXS, 1996)'
_computing_structure_solution    'SHELXTL (Bruker-AXS, 1996)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 8.192
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'Frames each covering 0.3 ° in ω'
_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  0.0279
_diffrn_reflns_av_sigmaI/netI    0.0355
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            13119
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.83
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.444
_exptl_absorpt_correction_T_max  0.864
_exptl_absorpt_correction_T_min  0.592
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.732
_exptl_crystal_density_method    none
_exptl_crystal_description       needle
_exptl_crystal_F_000             2224
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.527
_refine_diff_density_min         -0.766
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.990
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         4856
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      0.990
_refine_ls_R_factor_all          0.0374
_refine_ls_R_factor_gt           0.0273
_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)+(0.0351P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0629
_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                3990
_reflns_number_total             4856
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            b414412k.txt
_cod_data_source_block           25
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7000015
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'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
Ru1 Ru 0.139798(8) 0.691735(14) 0.664352(13) 0.01971(6) Uani 1 1 d . . .
Fe1 Fe 0.124113(16) 0.77639(3) 0.49160(2) 0.02439(9) Uani 1 1 d . . .
C1 C 0.18533(12) 0.5706(2) 0.6628(2) 0.0339(6) Uani 1 1 d . . .
C2 C 0.17992(12) 0.6969(2) 0.47973(19) 0.0316(6) Uani 1 1 d . . .
C3 C 0.08921(11) 0.6518(2) 0.51665(18) 0.0296(5) Uani 1 1 d . . .
C4 C 0.17823(11) 0.8244(2) 0.62069(18) 0.0256(5) Uani 1 1 d D . .
H4A H 0.1681(11) 0.8881(16) 0.6409(18) 0.031 Uiso 1 1 d D . .
C5 C 0.22835(11) 0.7722(2) 0.68594(19) 0.0308(6) Uani 1 1 d D . .
H5A H 0.2509(11) 0.7226(19) 0.6663(19) 0.037 Uiso 1 1 d D . .
H5B H 0.2484(11) 0.798(2) 0.7509(14) 0.037 Uiso 1 1 d D . .
C10 C 0.11947(16) 0.8732(3) 0.3778(2) 0.0527(9) Uani 1 1 d . . .
H10 H 0.1512 0.8801 0.3579 0.063 Uiso 1 1 calc R . .
C11 C 0.07234(15) 0.7979(3) 0.3423(2) 0.0526(9) Uani 1 1 d . . .
H11 H 0.0667 0.7453 0.2944 0.063 Uiso 1 1 calc R . .
C12 C 0.03525(14) 0.8154(3) 0.3914(2) 0.0499(8) Uani 1 1 d . . .
H12 H 0.0001 0.7764 0.3817 0.060 Uiso 1 1 calc R . .
C13 C 0.05908(14) 0.9001(3) 0.4569(2) 0.0447(8) Uani 1 1 d . . .
H13 H 0.0430 0.9277 0.4993 0.054 Uiso 1 1 calc R . .
C14 C 0.11095(16) 0.9369(2) 0.4485(2) 0.0507(8) Uani 1 1 d . . .
H14 H 0.1358 0.9941 0.4837 0.061 Uiso 1 1 calc R . .
C20 C 0.14439(11) 0.6547(2) 0.80877(17) 0.0267(5) Uani 1 1 d . . .
C21 C 0.09015(11) 0.6080(2) 0.73602(17) 0.0264(5) Uani 1 1 d . . .
C22 C 0.05207(10) 0.69208(19) 0.68149(17) 0.0249(5) Uani 1 1 d . . .
C23 C 0.08229(11) 0.79088(19) 0.71860(17) 0.0239(5) Uani 1 1 d . . .
C24 C 0.13898(11) 0.7672(2) 0.79817(17) 0.0264(5) Uani 1 1 d . . .
C30 C 0.19458(13) 0.5968(3) 0.8886(2) 0.0456(8) Uani 1 1 d . . .
H30A H 0.1970 0.5243 0.8674 0.068 Uiso 1 1 calc R . .
H30B H 0.1868 0.5949 0.9469 0.068 Uiso 1 1 calc R . .
H30C H 0.2327 0.6335 0.9035 0.068 Uiso 1 1 calc R . .
C31 C 0.07504(13) 0.4921(2) 0.7280(2) 0.0413(7) Uani 1 1 d . . .
H31A H 0.0579 0.4741 0.7740 0.062 Uiso 1 1 calc R . .
H31B H 0.1116 0.4504 0.7433 0.062 Uiso 1 1 calc R . .
H31C H 0.0458 0.4760 0.6616 0.062 Uiso 1 1 calc R . .
C32 C -0.01100(11) 0.6811(2) 0.60396(19) 0.0355(6) Uani 1 1 d . . .
H32A H -0.0196 0.7392 0.5572 0.053 Uiso 1 1 calc R . .
H32B H -0.0394 0.6835 0.6340 0.053 Uiso 1 1 calc R . .
H32C H -0.0151 0.6133 0.5702 0.053 Uiso 1 1 calc R . .
C33 C 0.05647(13) 0.9003(2) 0.6911(2) 0.0343(6) Uani 1 1 d . . .
H33A H 0.0188 0.8965 0.6321 0.051 Uiso 1 1 calc R . .
H33B H 0.0852 0.9453 0.6790 0.051 Uiso 1 1 calc R . .
H33C H 0.0486 0.9303 0.7443 0.051 Uiso 1 1 calc R . .
C34 C 0.18316(12) 0.8462(2) 0.86294(19) 0.0380(6) Uani 1 1 d . . .
H34A H 0.1747 0.8603 0.9195 0.057 Uiso 1 1 calc R . .
H34B H 0.1798 0.9122 0.8269 0.057 Uiso 1 1 calc R . .
H34C H 0.2240 0.8179 0.8848 0.057 Uiso 1 1 calc R . .
B1 B 0.13132(14) 0.8293(3) 0.1263(2) 0.0348(7) Uani 1 1 d . . .
F4 F 0.07788(7) 0.87737(15) 0.06287(13) 0.0580(5) Uani 1 1 d . . .
F3 F 0.11827(9) 0.74632(16) 0.17235(14) 0.0606(5) Uani 1 1 d . . .
F2 F 0.16528(8) 0.90370(15) 0.19466(14) 0.0616(5) Uani 1 1 d . . .
F1 F 0.16278(9) 0.79363(18) 0.07502(14) 0.0670(6) Uani 1 1 d . . .
O1 O 0.21053(10) 0.49460(18) 0.66511(17) 0.0582(6) Uani 1 1 d . . .
O2 O 0.21550(9) 0.64490(16) 0.47132(16) 0.0490(5) Uani 1 1 d . . .
O3 O 0.05739(9) 0.58174(17) 0.47872(14) 0.0473(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'
B B 0.0013 0.0007 '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'
O O 0.0106 0.0060 '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'
Ru Ru -1.2594 0.8363 '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
_geom_angle_publ_flag
C1 Ru1 C3 83.15(11) . . ?
C1 Ru1 C4 106.63(11) . . ?
C3 Ru1 C4 89.88(10) . . ?
C1 Ru1 C20 93.30(11) . . ?
C3 Ru1 C20 140.04(10) . . ?
C4 Ru1 C20 128.72(9) . . ?
C1 Ru1 C21 93.96(11) . . ?
C3 Ru1 C21 101.93(10) . . ?
C4 Ru1 C21 157.42(9) . . ?
C20 Ru1 C21 38.39(9) . . ?
C1 Ru1 C24 125.53(10) . . ?
C3 Ru1 C24 146.32(9) . . ?
C4 Ru1 C24 96.80(9) . . ?
C20 Ru1 C24 37.51(9) . . ?
C21 Ru1 C24 62.88(9) . . ?
C1 Ru1 C22 126.33(10) . . ?
C3 Ru1 C22 87.69(9) . . ?
C4 Ru1 C22 126.17(9) . . ?
C20 Ru1 C22 62.60(9) . . ?
C21 Ru1 C22 37.03(8) . . ?
C24 Ru1 C22 61.82(9) . . ?
C1 Ru1 C23 154.39(10) . . ?
C3 Ru1 C23 109.63(9) . . ?
C4 Ru1 C23 95.77(9) . . ?
C20 Ru1 C23 62.44(9) . . ?
C21 Ru1 C23 62.23(9) . . ?
C24 Ru1 C23 36.97(8) . . ?
C22 Ru1 C23 36.83(8) . . ?
C1 Ru1 C5 80.35(11) . . ?
C3 Ru1 C5 110.81(10) . . ?
C4 Ru1 C5 35.90(10) . . ?
C20 Ru1 C5 107.73(9) . . ?
C21 Ru1 C5 145.69(9) . . ?
C24 Ru1 C5 92.93(9) . . ?
C22 Ru1 C5 150.22(9) . . ?
C23 Ru1 C5 113.41(9) . . ?
C1 Ru1 Fe1 98.69(8) . . ?
C3 Ru1 Fe1 44.55(7) . . ?
C4 Ru1 Fe1 45.41(7) . . ?
C20 Ru1 Fe1 167.86(7) . . ?
C21 Ru1 Fe1 141.42(6) . . ?
C24 Ru1 Fe1 130.88(7) . . ?
C22 Ru1 Fe1 110.77(6) . . ?
C23 Ru1 Fe1 105.93(6) . . ?
C5 Ru1 Fe1 72.69(7) . . ?
C2 Fe1 C3 89.05(11) . . ?
C2 Fe1 C4 92.85(11) . . ?
C3 Fe1 C4 103.36(11) . . ?
C2 Fe1 C10 91.39(13) . . ?
C3 Fe1 C10 141.24(13) . . ?
C4 Fe1 C10 115.31(13) . . ?
C2 Fe1 C11 96.15(12) . . ?
C3 Fe1 C11 101.74(13) . . ?
C4 Fe1 C11 153.43(13) . . ?
C10 Fe1 C11 39.72(13) . . ?
C2 Fe1 C14 122.55(12) . . ?
C3 Fe1 C14 146.25(12) . . ?
C4 Fe1 C14 87.85(12) . . ?
C10 Fe1 C14 39.71(12) . . ?
C11 Fe1 C14 66.27(14) . . ?
C2 Fe1 C12 131.65(12) . . ?
C3 Fe1 C12 85.51(13) . . ?
C4 Fe1 C12 135.11(12) . . ?
C10 Fe1 C12 65.74(13) . . ?
C11 Fe1 C12 39.16(12) . . ?
C14 Fe1 C12 65.13(14) . . ?
C2 Fe1 C13 157.15(12) . . ?
C3 Fe1 C13 107.57(12) . . ?
C4 Fe1 C13 98.20(11) . . ?
C10 Fe1 C13 65.82(12) . . ?
C11 Fe1 C13 65.70(12) . . ?
C14 Fe1 C13 38.76(12) . . ?
C12 Fe1 C13 38.63(12) . . ?
C2 Fe1 Ru1 94.21(9) . . ?
C3 Fe1 Ru1 51.11(7) . . ?
C4 Fe1 Ru1 52.35(7) . . ?
C10 Fe1 Ru1 166.65(11) . . ?
C11 Fe1 Ru1 150.74(11) . . ?
C14 Fe1 Ru1 128.33(9) . . ?
C12 Fe1 Ru1 117.98(9) . . ?
C13 Fe1 Ru1 108.38(8) . . ?
O1 C1 Ru1 175.2(3) . . ?
O2 C2 Fe1 179.3(3) . . ?
O3 C3 Fe1 142.8(2) . . ?
O3 C3 Ru1 132.8(2) . . ?
Fe1 C3 Ru1 84.34(10) . . ?
C5 C4 Fe1 126.8(2) . . ?
C5 C4 Ru1 77.41(16) . . ?
Fe1 C4 Ru1 82.23(9) . . ?
C5 C4 H4A 117.3(16) . . ?
Fe1 C4 H4A 115.9(16) . . ?
Ru1 C4 H4A 110.9(16) . . ?
C4 C5 Ru1 66.70(14) . . ?
C4 C5 H5A 123.0(16) . . ?
Ru1 C5 H5A 107.4(17) . . ?
C4 C5 H5B 119.4(17) . . ?
Ru1 C5 H5B 110.3(17) . . ?
H5A C5 H5B 116(2) . . ?
C11 C10 C14 108.1(3) . . ?
C11 C10 Fe1 70.76(17) . . ?
C14 C10 Fe1 71.49(16) . . ?
C11 C10 H10 126.0 . . ?
C14 C10 H10 126.0 . . ?
Fe1 C10 H10 123.4 . . ?
C12 C11 C10 107.3(3) . . ?
C12 C11 Fe1 71.58(16) . . ?
C10 C11 Fe1 69.52(16) . . ?
C12 C11 H11 126.3 . . ?
C10 C11 H11 126.3 . . ?
Fe1 C11 H11 124.2 . . ?
C13 C12 C11 108.7(3) . . ?
C13 C12 Fe1 71.09(16) . . ?
C11 C12 Fe1 69.27(17) . . ?
C13 C12 H12 125.6 . . ?
C11 C12 H12 125.6 . . ?
Fe1 C12 H12 125.6 . . ?
C12 C13 C14 108.0(3) . . ?
C12 C13 Fe1 70.28(17) . . ?
C14 C13 Fe1 69.79(16) . . ?
C12 C13 H13 126.0 . . ?
C14 C13 H13 126.0 . . ?
Fe1 C13 H13 125.5 . . ?
C13 C14 C10 107.8(3) . . ?
C13 C14 Fe1 71.45(17) . . ?
C10 C14 Fe1 68.80(17) . . ?
C13 C14 H14 126.1 . . ?
C10 C14 H14 126.1 . . ?
Fe1 C14 H14 125.2 . . ?
C24 C20 C21 107.9(2) . . ?
C24 C20 C30 125.4(2) . . ?
C21 C20 C30 126.3(2) . . ?
C24 C20 Ru1 73.32(13) . . ?
C21 C20 Ru1 71.52(13) . . ?
C30 C20 Ru1 125.93(19) . . ?
C22 C21 C20 107.7(2) . . ?
C22 C21 C31 126.9(2) . . ?
C20 C21 C31 125.1(2) . . ?
C22 C21 Ru1 73.80(14) . . ?
C20 C21 Ru1 70.09(13) . . ?
C31 C21 Ru1 126.46(19) . . ?
C21 C22 C23 108.4(2) . . ?
C21 C22 C32 126.2(2) . . ?
C23 C22 C32 125.2(2) . . ?
C21 C22 Ru1 69.16(13) . . ?
C23 C22 Ru1 71.93(13) . . ?
C32 C22 Ru1 128.49(17) . . ?
C24 C23 C22 107.7(2) . . ?
C24 C23 C33 124.7(2) . . ?
C22 C23 C33 126.9(2) . . ?
C24 C23 Ru1 70.22(13) . . ?
C22 C23 Ru1 71.25(13) . . ?
C33 C23 Ru1 131.01(17) . . ?
C20 C24 C23 108.2(2) . . ?
C20 C24 C34 125.6(2) . . ?
C23 C24 C34 126.1(2) . . ?
C20 C24 Ru1 69.17(13) . . ?
C23 C24 Ru1 72.81(13) . . ?
C34 C24 Ru1 126.53(17) . . ?
C20 C30 H30A 109.5 . . ?
C20 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C20 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C21 C31 H31A 109.5 . . ?
C21 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C21 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C22 C32 H32A 109.5 . . ?
C22 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C22 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C23 C33 H33A 109.5 . . ?
C23 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C23 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C24 C34 H34A 109.5 . . ?
C24 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C24 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
F3 B1 F1 110.1(3) . . ?
F3 B1 F2 109.5(3) . . ?
F1 B1 F2 109.8(2) . . ?
F3 B1 F4 109.3(2) . . ?
F1 B1 F4 109.9(2) . . ?
F2 B1 F4 108.3(3) . . ?
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
Ru1 C1 1.901(3) . ?
Ru1 C3 2.113(2) . ?
Ru1 C4 2.158(2) . ?
Ru1 C20 2.194(2) . ?
Ru1 C21 2.213(2) . ?
Ru1 C24 2.248(2) . ?
Ru1 C22 2.274(2) . ?
Ru1 C23 2.283(2) . ?
Ru1 C5 2.294(3) . ?
Ru1 Fe1 2.7009(4) . ?
Fe1 C2 1.767(3) . ?
Fe1 C3 1.904(3) . ?
Fe1 C4 1.941(2) . ?
Fe1 C10 2.077(3) . ?
Fe1 C11 2.094(3) . ?
Fe1 C14 2.113(3) . ?
Fe1 C12 2.124(3) . ?
Fe1 C13 2.135(3) . ?
C1 O1 1.134(3) . ?
C2 O2 1.141(3) . ?
C3 O3 1.160(3) . ?
C4 C5 1.378(4) . ?
C4 H4A 0.932(16) . ?
C5 H5A 0.962(17) . ?
C5 H5B 0.955(17) . ?
C10 C11 1.417(5) . ?
C10 C14 1.424(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.414(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.409(4) . ?
C12 H12 0.9500 . ?
C13 C14 1.410(4) . ?
C13 H13 0.9500 . ?
C14 H14 0.9500 . ?
C20 C24 1.429(4) . ?
C20 C21 1.449(3) . ?
C20 C30 1.503(3) . ?
C21 C22 1.426(3) . ?
C21 C31 1.502(3) . ?
C22 C23 1.439(3) . ?
C22 C32 1.504(3) . ?
C23 C24 1.437(3) . ?
C23 C33 1.504(3) . ?
C24 C34 1.496(3) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
B1 F3 1.369(4) . ?
B1 F1 1.381(4) . ?
B1 F2 1.387(4) . ?
B1 F4 1.396(3) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Ru1 Fe1 C2 -14.47(12) . . . . ?
C3 Ru1 Fe1 C2 -85.37(13) . . . . ?
C4 Ru1 Fe1 C2 90.35(13) . . . . ?
C20 Ru1 Fe1 C2 156.4(3) . . . . ?
C21 Ru1 Fe1 C2 -122.16(14) . . . . ?
C24 Ru1 Fe1 C2 141.04(12) . . . . ?
C22 Ru1 Fe1 C2 -148.82(11) . . . . ?
C23 Ru1 Fe1 C2 172.62(10) . . . . ?
C5 Ru1 Fe1 C2 62.51(11) . . . . ?
C1 Ru1 Fe1 C3 70.90(13) . . . . ?
C4 Ru1 Fe1 C3 175.72(14) . . . . ?
C20 Ru1 Fe1 C3 -118.2(3) . . . . ?
C21 Ru1 Fe1 C3 -36.79(15) . . . . ?
C24 Ru1 Fe1 C3 -133.60(13) . . . . ?
C22 Ru1 Fe1 C3 -63.46(12) . . . . ?
C23 Ru1 Fe1 C3 -102.01(12) . . . . ?
C5 Ru1 Fe1 C3 147.88(13) . . . . ?
C1 Ru1 Fe1 C4 -104.82(13) . . . . ?
C3 Ru1 Fe1 C4 -175.72(14) . . . . ?
C20 Ru1 Fe1 C4 66.1(3) . . . . ?
C21 Ru1 Fe1 C4 147.49(14) . . . . ?
C24 Ru1 Fe1 C4 50.69(13) . . . . ?
C22 Ru1 Fe1 C4 120.83(12) . . . . ?
C23 Ru1 Fe1 C4 82.27(11) . . . . ?
C5 Ru1 Fe1 C4 -27.84(12) . . . . ?
C1 Ru1 Fe1 C10 -129.0(4) . . . . ?
C3 Ru1 Fe1 C10 160.1(4) . . . . ?
C4 Ru1 Fe1 C10 -24.2(4) . . . . ?
C20 Ru1 Fe1 C10 41.9(5) . . . . ?
C21 Ru1 Fe1 C10 123.3(4) . . . . ?
C24 Ru1 Fe1 C10 26.5(4) . . . . ?
C22 Ru1 Fe1 C10 96.6(4) . . . . ?
C23 Ru1 Fe1 C10 58.1(4) . . . . ?
C5 Ru1 Fe1 C10 -52.0(4) . . . . ?
C1 Ru1 Fe1 C11 96.1(2) . . . . ?
C3 Ru1 Fe1 C11 25.2(2) . . . . ?
C4 Ru1 Fe1 C11 -159.1(2) . . . . ?
C20 Ru1 Fe1 C11 -93.0(4) . . . . ?
C21 Ru1 Fe1 C11 -11.6(2) . . . . ?
C24 Ru1 Fe1 C11 -108.4(2) . . . . ?
C22 Ru1 Fe1 C11 -38.3(2) . . . . ?
C23 Ru1 Fe1 C11 -76.8(2) . . . . ?
C5 Ru1 Fe1 C11 173.1(2) . . . . ?
C1 Ru1 Fe1 C14 -152.72(15) . . . . ?
C3 Ru1 Fe1 C14 136.38(16) . . . . ?
C4 Ru1 Fe1 C14 -47.90(16) . . . . ?
C20 Ru1 Fe1 C14 18.2(3) . . . . ?
C21 Ru1 Fe1 C14 99.59(17) . . . . ?
C24 Ru1 Fe1 C14 2.79(15) . . . . ?
C22 Ru1 Fe1 C14 72.93(14) . . . . ?
C23 Ru1 Fe1 C14 34.37(14) . . . . ?
C5 Ru1 Fe1 C14 -75.74(15) . . . . ?
C1 Ru1 Fe1 C12 128.06(14) . . . . ?
C3 Ru1 Fe1 C12 57.16(15) . . . . ?
C4 Ru1 Fe1 C12 -127.12(14) . . . . ?
C20 Ru1 Fe1 C12 -61.1(3) . . . . ?
C21 Ru1 Fe1 C12 20.38(15) . . . . ?
C24 Ru1 Fe1 C12 -76.43(14) . . . . ?
C22 Ru1 Fe1 C12 -6.29(13) . . . . ?
C23 Ru1 Fe1 C12 -44.85(13) . . . . ?
C5 Ru1 Fe1 C12 -154.96(13) . . . . ?
C1 Ru1 Fe1 C13 168.98(13) . . . . ?
C3 Ru1 Fe1 C13 98.09(14) . . . . ?
C4 Ru1 Fe1 C13 -86.19(14) . . . . ?
C20 Ru1 Fe1 C13 -20.1(3) . . . . ?
C21 Ru1 Fe1 C13 61.30(15) . . . . ?
C24 Ru1 Fe1 C13 -35.51(13) . . . . ?
C22 Ru1 Fe1 C13 34.63(12) . . . . ?
C23 Ru1 Fe1 C13 -3.92(12) . . . . ?
C5 Ru1 Fe1 C13 -114.03(12) . . . . ?
C2 Fe1 C3 O3 -82.2(4) . . . . ?
C4 Fe1 C3 O3 -174.9(4) . . . . ?
C10 Fe1 C3 O3 8.9(5) . . . . ?
C11 Fe1 C3 O3 13.9(4) . . . . ?
C14 Fe1 C3 O3 78.5(4) . . . . ?
C12 Fe1 C3 O3 49.8(4) . . . . ?
C13 Fe1 C3 O3 81.9(4) . . . . ?
Ru1 Fe1 C3 O3 -178.3(4) . . . . ?
C2 Fe1 C3 Ru1 96.19(11) . . . . ?
C4 Fe1 C3 Ru1 3.48(11) . . . . ?
C10 Fe1 C3 Ru1 -172.78(15) . . . . ?
C11 Fe1 C3 Ru1 -167.73(10) . . . . ?
C14 Fe1 C3 Ru1 -103.1(2) . . . . ?
C12 Fe1 C3 Ru1 -131.90(11) . . . . ?
C13 Fe1 C3 Ru1 -99.76(10) . . . . ?
C1 Ru1 C3 O3 68.8(3) . . . . ?
C4 Ru1 C3 O3 175.6(3) . . . . ?
C20 Ru1 C3 O3 -18.1(4) . . . . ?
C21 Ru1 C3 O3 -23.8(3) . . . . ?
C24 Ru1 C3 O3 -82.3(3) . . . . ?
C22 Ru1 C3 O3 -58.2(3) . . . . ?
C23 Ru1 C3 O3 -88.3(3) . . . . ?
C5 Ru1 C3 O3 145.7(3) . . . . ?
Fe1 Ru1 C3 O3 178.6(3) . . . . ?
C1 Ru1 C3 Fe1 -109.82(11) . . . . ?
C4 Ru1 C3 Fe1 -3.05(10) . . . . ?
C20 Ru1 C3 Fe1 163.23(11) . . . . ?
C21 Ru1 C3 Fe1 157.56(9) . . . . ?
C24 Ru1 C3 Fe1 99.10(16) . . . . ?
C22 Ru1 C3 Fe1 123.16(10) . . . . ?
C23 Ru1 C3 Fe1 93.04(10) . . . . ?
C5 Ru1 C3 Fe1 -32.89(12) . . . . ?
C2 Fe1 C4 C5 -25.2(2) . . . . ?
C3 Fe1 C4 C5 64.5(2) . . . . ?
C10 Fe1 C4 C5 -118.1(2) . . . . ?
C11 Fe1 C4 C5 -135.1(3) . . . . ?
C14 Fe1 C4 C5 -147.7(2) . . . . ?
C12 Fe1 C4 C5 161.6(2) . . . . ?
C13 Fe1 C4 C5 174.8(2) . . . . ?
Ru1 Fe1 C4 C5 67.9(2) . . . . ?
C2 Fe1 C4 Ru1 -93.12(10) . . . . ?
C3 Fe1 C4 Ru1 -3.42(11) . . . . ?
C10 Fe1 C4 Ru1 173.99(11) . . . . ?
C11 Fe1 C4 Ru1 157.0(2) . . . . ?
C14 Fe1 C4 Ru1 144.38(11) . . . . ?
C12 Fe1 C4 Ru1 93.73(17) . . . . ?
C13 Fe1 C4 Ru1 106.92(11) . . . . ?
C1 Ru1 C4 C5 -44.68(18) . . . . ?
C3 Ru1 C4 C5 -127.49(16) . . . . ?
C20 Ru1 C4 C5 63.77(19) . . . . ?
C21 Ru1 C4 C5 110.3(3) . . . . ?
C24 Ru1 C4 C5 85.59(16) . . . . ?
C22 Ru1 C4 C5 145.46(15) . . . . ?
C23 Ru1 C4 C5 122.78(16) . . . . ?
Fe1 Ru1 C4 C5 -130.50(18) . . . . ?
C1 Ru1 C4 Fe1 85.82(11) . . . . ?
C3 Ru1 C4 Fe1 3.00(10) . . . . ?
C20 Ru1 C4 Fe1 -165.73(9) . . . . ?
C21 Ru1 C4 Fe1 -119.2(2) . . . . ?
C24 Ru1 C4 Fe1 -143.91(9) . . . . ?
C22 Ru1 C4 Fe1 -84.05(11) . . . . ?
C23 Ru1 C4 Fe1 -106.72(9) . . . . ?
C5 Ru1 C4 Fe1 130.50(18) . . . . ?
Fe1 C4 C5 Ru1 -70.14(18) . . . . ?
C1 Ru1 C5 C4 136.89(17) . . . . ?
C3 Ru1 C5 C4 58.08(18) . . . . ?
C20 Ru1 C5 C4 -132.71(16) . . . . ?
C21 Ru1 C5 C4 -140.28(18) . . . . ?
C24 Ru1 C5 C4 -97.55(16) . . . . ?
C22 Ru1 C5 C4 -67.2(2) . . . . ?
C23 Ru1 C5 C4 -65.72(17) . . . . ?
Fe1 Ru1 C5 C4 34.56(14) . . . . ?
C2 Fe1 C10 C11 98.0(2) . . . . ?
C3 Fe1 C10 C11 7.8(3) . . . . ?
C4 Fe1 C10 C11 -168.23(18) . . . . ?
C14 Fe1 C10 C11 -117.6(3) . . . . ?
C12 Fe1 C10 C11 -37.95(19) . . . . ?
C13 Fe1 C10 C11 -80.5(2) . . . . ?
Ru1 Fe1 C10 C11 -147.2(4) . . . . ?
C2 Fe1 C10 C14 -144.4(2) . . . . ?
C3 Fe1 C10 C14 125.4(2) . . . . ?
C4 Fe1 C10 C14 -50.6(2) . . . . ?
C11 Fe1 C10 C14 117.6(3) . . . . ?
C12 Fe1 C10 C14 79.7(2) . . . . ?
C13 Fe1 C10 C14 37.1(2) . . . . ?
Ru1 Fe1 C10 C14 -29.6(5) . . . . ?
C14 C10 C11 C12 -0.2(3) . . . . ?
Fe1 C10 C11 C12 62.0(2) . . . . ?
C14 C10 C11 Fe1 -62.1(2) . . . . ?
C2 Fe1 C11 C12 157.9(2) . . . . ?
C3 Fe1 C11 C12 67.6(2) . . . . ?
C4 Fe1 C11 C12 -93.0(3) . . . . ?
C10 Fe1 C11 C12 -117.4(3) . . . . ?
C14 Fe1 C11 C12 -79.2(2) . . . . ?
C13 Fe1 C11 C12 -36.6(2) . . . . ?
Ru1 Fe1 C11 C12 47.8(3) . . . . ?
C2 Fe1 C11 C10 -84.7(2) . . . . ?
C3 Fe1 C11 C10 -175.05(19) . . . . ?
C4 Fe1 C11 C10 24.3(4) . . . . ?
C14 Fe1 C11 C10 38.20(19) . . . . ?
C12 Fe1 C11 C10 117.4(3) . . . . ?
C13 Fe1 C11 C10 80.8(2) . . . . ?
Ru1 Fe1 C11 C10 165.17(16) . . . . ?
C10 C11 C12 C13 -0.3(3) . . . . ?
Fe1 C11 C12 C13 60.4(2) . . . . ?
C10 C11 C12 Fe1 -60.6(2) . . . . ?
C2 Fe1 C12 C13 -149.61(19) . . . . ?
C3 Fe1 C12 C13 125.7(2) . . . . ?
C4 Fe1 C12 C13 21.2(3) . . . . ?
C10 Fe1 C12 C13 -81.0(2) . . . . ?
C11 Fe1 C12 C13 -119.5(3) . . . . ?
C14 Fe1 C12 C13 -37.18(18) . . . . ?
Ru1 Fe1 C12 C13 84.68(19) . . . . ?
C2 Fe1 C12 C11 -30.1(3) . . . . ?
C3 Fe1 C12 C11 -114.8(2) . . . . ?
C4 Fe1 C12 C11 140.7(2) . . . . ?
C10 Fe1 C12 C11 38.5(2) . . . . ?
C14 Fe1 C12 C11 82.3(2) . . . . ?
C13 Fe1 C12 C11 119.5(3) . . . . ?
Ru1 Fe1 C12 C11 -155.80(19) . . . . ?
C11 C12 C13 C14 0.6(3) . . . . ?
Fe1 C12 C13 C14 59.8(2) . . . . ?
C11 C12 C13 Fe1 -59.2(2) . . . . ?
C2 Fe1 C13 C12 76.8(4) . . . . ?
C3 Fe1 C13 C12 -58.2(2) . . . . ?
C4 Fe1 C13 C12 -165.05(19) . . . . ?
C10 Fe1 C13 C12 80.8(2) . . . . ?
C11 Fe1 C13 C12 37.1(2) . . . . ?
C14 Fe1 C13 C12 118.9(3) . . . . ?
Ru1 Fe1 C13 C12 -112.09(17) . . . . ?
C2 Fe1 C13 C14 -42.0(4) . . . . ?
C3 Fe1 C13 C14 -177.01(18) . . . . ?
C4 Fe1 C13 C14 76.10(19) . . . . ?
C10 Fe1 C13 C14 -38.0(2) . . . . ?
C11 Fe1 C13 C14 -81.8(2) . . . . ?
C12 Fe1 C13 C14 -118.9(3) . . . . ?
Ru1 Fe1 C13 C14 129.06(17) . . . . ?
C12 C13 C14 C10 -0.7(3) . . . . ?
Fe1 C13 C14 C10 59.5(2) . . . . ?
C12 C13 C14 Fe1 -60.1(2) . . . . ?
C11 C10 C14 C13 0.5(3) . . . . ?
Fe1 C10 C14 C13 -61.1(2) . . . . ?
C11 C10 C14 Fe1 61.7(2) . . . . ?
C2 Fe1 C14 C13 162.04(17) . . . . ?
C3 Fe1 C14 C13 5.1(3) . . . . ?
C4 Fe1 C14 C13 -105.96(19) . . . . ?
C10 Fe1 C14 C13 118.4(3) . . . . ?
C11 Fe1 C14 C13 80.2(2) . . . . ?
C12 Fe1 C14 C13 37.06(18) . . . . ?
Ru1 Fe1 C14 C13 -70.0(2) . . . . ?
C2 Fe1 C14 C10 43.6(3) . . . . ?
C3 Fe1 C14 C10 -113.3(2) . . . . ?
C4 Fe1 C14 C10 135.6(2) . . . . ?
C11 Fe1 C14 C10 -38.2(2) . . . . ?
C12 Fe1 C14 C10 -81.3(2) . . . . ?
C13 Fe1 C14 C10 -118.4(3) . . . . ?
Ru1 Fe1 C14 C10 171.65(17) . . . . ?
C1 Ru1 C20 C24 151.75(15) . . . . ?
C3 Ru1 C20 C24 -124.98(17) . . . . ?
C4 Ru1 C20 C24 37.32(18) . . . . ?
C21 Ru1 C20 C24 -116.0(2) . . . . ?
C22 Ru1 C20 C24 -78.56(15) . . . . ?
C23 Ru1 C20 C24 -36.84(13) . . . . ?
C5 Ru1 C20 C24 70.83(15) . . . . ?
Fe1 Ru1 C20 C24 -19.2(4) . . . . ?
C1 Ru1 C20 C21 -92.22(16) . . . . ?
C3 Ru1 C20 C21 -8.9(2) . . . . ?
C4 Ru1 C20 C21 153.35(15) . . . . ?
C24 Ru1 C20 C21 116.0(2) . . . . ?
C22 Ru1 C20 C21 37.47(14) . . . . ?
C23 Ru1 C20 C21 79.19(15) . . . . ?
C5 Ru1 C20 C21 -173.14(14) . . . . ?
Fe1 Ru1 C20 C21 96.8(3) . . . . ?
C1 Ru1 C20 C30 29.7(2) . . . . ?
C3 Ru1 C20 C30 113.0(2) . . . . ?
C4 Ru1 C20 C30 -84.7(3) . . . . ?
C21 Ru1 C20 C30 121.9(3) . . . . ?
C24 Ru1 C20 C30 -122.0(3) . . . . ?
C22 Ru1 C20 C30 159.4(3) . . . . ?
C23 Ru1 C20 C30 -158.9(3) . . . . ?
C5 Ru1 C20 C30 -51.2(3) . . . . ?
Fe1 Ru1 C20 C30 -141.3(3) . . . . ?
C24 C20 C21 C22 0.1(3) . . . . ?
C30 C20 C21 C22 173.8(2) . . . . ?
Ru1 C20 C21 C22 -64.71(17) . . . . ?
C24 C20 C21 C31 -174.0(2) . . . . ?
C30 C20 C21 C31 -0.3(4) . . . . ?
Ru1 C20 C21 C31 121.2(3) . . . . ?
C24 C20 C21 Ru1 64.78(16) . . . . ?
C30 C20 C21 Ru1 -121.5(3) . . . . ?
C1 Ru1 C21 C22 -153.42(15) . . . . ?
C3 Ru1 C21 C22 -69.60(15) . . . . ?
C4 Ru1 C21 C22 50.6(3) . . . . ?
C20 Ru1 C21 C22 116.3(2) . . . . ?
C24 Ru1 C21 C22 78.33(15) . . . . ?
C23 Ru1 C21 C22 36.48(13) . . . . ?
C5 Ru1 C21 C22 127.91(18) . . . . ?
Fe1 Ru1 C21 C22 -44.17(19) . . . . ?
C1 Ru1 C21 C20 90.31(16) . . . . ?
C3 Ru1 C21 C20 174.14(15) . . . . ?
C4 Ru1 C21 C20 -65.7(3) . . . . ?
C24 Ru1 C21 C20 -37.93(14) . . . . ?
C22 Ru1 C21 C20 -116.3(2) . . . . ?
C23 Ru1 C21 C20 -79.79(15) . . . . ?
C5 Ru1 C21 C20 11.7(2) . . . . ?
Fe1 Ru1 C21 C20 -160.43(11) . . . . ?
C1 Ru1 C21 C31 -29.2(2) . . . . ?
C3 Ru1 C21 C31 54.6(2) . . . . ?
C4 Ru1 C21 C31 174.8(2) . . . . ?
C20 Ru1 C21 C31 -119.5(3) . . . . ?
C24 Ru1 C21 C31 -157.5(2) . . . . ?
C22 Ru1 C21 C31 124.2(3) . . . . ?
C23 Ru1 C21 C31 160.7(2) . . . . ?
C5 Ru1 C21 C31 -107.9(2) . . . . ?
Fe1 Ru1 C21 C31 80.0(2) . . . . ?
C20 C21 C22 C23 0.7(3) . . . . ?
C31 C21 C22 C23 174.7(2) . . . . ?
Ru1 C21 C22 C23 -61.55(17) . . . . ?
C20 C21 C22 C32 -174.6(2) . . . . ?
C31 C21 C22 C32 -0.6(4) . . . . ?
Ru1 C21 C22 C32 123.1(2) . . . . ?
C20 C21 C22 Ru1 62.28(16) . . . . ?
C31 C21 C22 Ru1 -123.8(3) . . . . ?
C1 Ru1 C22 C21 33.64(19) . . . . ?
C3 Ru1 C22 C21 113.40(15) . . . . ?
C4 Ru1 C22 C21 -158.44(14) . . . . ?
C20 Ru1 C22 C21 -38.85(14) . . . . ?
C24 Ru1 C22 C21 -81.47(15) . . . . ?
C23 Ru1 C22 C21 -118.7(2) . . . . ?
C5 Ru1 C22 C21 -116.4(2) . . . . ?
Fe1 Ru1 C22 C21 152.31(12) . . . . ?
C1 Ru1 C22 C23 152.30(15) . . . . ?
C3 Ru1 C22 C23 -127.95(15) . . . . ?
C4 Ru1 C22 C23 -39.79(17) . . . . ?
C20 Ru1 C22 C23 79.80(15) . . . . ?
C21 Ru1 C22 C23 118.7(2) . . . . ?
C24 Ru1 C22 C23 37.18(13) . . . . ?
C5 Ru1 C22 C23 2.2(3) . . . . ?
Fe1 Ru1 C22 C23 -89.04(13) . . . . ?
C1 Ru1 C22 C32 -86.7(2) . . . . ?
C3 Ru1 C22 C32 -7.0(2) . . . . ?
C4 Ru1 C22 C32 81.2(2) . . . . ?
C20 Ru1 C22 C32 -159.2(3) . . . . ?
C21 Ru1 C22 C32 -120.4(3) . . . . ?
C24 Ru1 C22 C32 158.2(3) . . . . ?
C23 Ru1 C22 C32 121.0(3) . . . . ?
C5 Ru1 C22 C32 123.2(2) . . . . ?
Fe1 Ru1 C22 C32 32.0(2) . . . . ?
C21 C22 C23 C24 -1.3(3) . . . . ?
C32 C22 C23 C24 174.1(2) . . . . ?
Ru1 C22 C23 C24 -61.07(16) . . . . ?
C21 C22 C23 C33 -172.5(2) . . . . ?
C32 C22 C23 C33 2.9(4) . . . . ?
Ru1 C22 C23 C33 127.7(2) . . . . ?
C21 C22 C23 Ru1 59.81(17) . . . . ?
C32 C22 C23 Ru1 -124.8(2) . . . . ?
C1 Ru1 C23 C24 57.6(3) . . . . ?
C3 Ru1 C23 C24 174.42(14) . . . . ?
C4 Ru1 C23 C24 -93.64(15) . . . . ?
C20 Ru1 C23 C24 37.39(14) . . . . ?
C21 Ru1 C23 C24 80.96(15) . . . . ?
C22 Ru1 C23 C24 117.6(2) . . . . ?
C5 Ru1 C23 C24 -61.15(16) . . . . ?
Fe1 Ru1 C23 C24 -138.82(13) . . . . ?
C1 Ru1 C23 C22 -60.1(3) . . . . ?
C3 Ru1 C23 C22 56.78(16) . . . . ?
C4 Ru1 C23 C22 148.72(14) . . . . ?
C20 Ru1 C23 C22 -80.25(15) . . . . ?
C21 Ru1 C23 C22 -36.68(13) . . . . ?
C24 Ru1 C23 C22 -117.6(2) . . . . ?
C5 Ru1 C23 C22 -178.79(14) . . . . ?
Fe1 Ru1 C23 C22 103.54(12) . . . . ?
C1 Ru1 C23 C33 176.9(2) . . . . ?
C3 Ru1 C23 C33 -66.3(2) . . . . ?
C4 Ru1 C23 C33 25.7(2) . . . . ?
C20 Ru1 C23 C33 156.7(3) . . . . ?
C21 Ru1 C23 C33 -159.7(3) . . . . ?
C24 Ru1 C23 C33 119.3(3) . . . . ?
C22 Ru1 C23 C33 -123.1(3) . . . . ?
C5 Ru1 C23 C33 58.1(3) . . . . ?
Fe1 Ru1 C23 C33 -19.5(2) . . . . ?
C21 C20 C24 C23 -0.8(3) . . . . ?
C30 C20 C24 C23 -174.7(2) . . . . ?
Ru1 C20 C24 C23 62.75(16) . . . . ?
C21 C20 C24 C34 175.7(2) . . . . ?
C30 C20 C24 C34 1.9(4) . . . . ?
Ru1 C20 C24 C34 -120.7(2) . . . . ?
C21 C20 C24 Ru1 -63.60(16) . . . . ?
C30 C20 C24 Ru1 122.6(3) . . . . ?
C22 C23 C24 C20 1.3(3) . . . . ?
C33 C23 C24 C20 172.8(2) . . . . ?
Ru1 C23 C24 C20 -60.43(16) . . . . ?
C22 C23 C24 C34 -175.2(2) . . . . ?
C33 C23 C24 C34 -3.7(4) . . . . ?
Ru1 C23 C24 C34 123.1(2) . . . . ?
C22 C23 C24 Ru1 61.72(16) . . . . ?
C33 C23 C24 Ru1 -126.8(2) . . . . ?
C1 Ru1 C24 C20 -35.49(18) . . . . ?
C3 Ru1 C24 C20 108.4(2) . . . . ?
C4 Ru1 C24 C20 -151.55(14) . . . . ?
C21 Ru1 C24 C20 38.82(13) . . . . ?
C22 Ru1 C24 C20 80.82(15) . . . . ?
C23 Ru1 C24 C20 117.9(2) . . . . ?
C5 Ru1 C24 C20 -115.73(15) . . . . ?
Fe1 Ru1 C24 C20 174.74(11) . . . . ?
C1 Ru1 C24 C23 -153.36(15) . . . . ?
C3 Ru1 C24 C23 -9.5(2) . . . . ?
C4 Ru1 C24 C23 90.58(15) . . . . ?
C20 Ru1 C24 C23 -117.9(2) . . . . ?
C21 Ru1 C24 C23 -79.05(15) . . . . ?
C22 Ru1 C24 C23 -37.04(13) . . . . ?
C5 Ru1 C24 C23 126.41(15) . . . . ?
Fe1 Ru1 C24 C23 56.88(16) . . . . ?
C1 Ru1 C24 C34 84.0(3) . . . . ?
C3 Ru1 C24 C34 -132.1(2) . . . . ?
C4 Ru1 C24 C34 -32.0(2) . . . . ?
C20 Ru1 C24 C34 119.5(3) . . . . ?
C21 Ru1 C24 C34 158.4(3) . . . . ?
C22 Ru1 C24 C34 -159.6(3) . . . . ?
C23 Ru1 C24 C34 -122.6(3) . . . . ?
C5 Ru1 C24 C34 3.8(2) . . . . ?
Fe1 Ru1 C24 C34 -65.7(2) . . . . ?
