#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:22:05 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178622 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/33/4073320.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_4073320
loop_
_publ_author_name
'Hijazi, Akram'
'Djukic, Jean-Pierre'
'Allouche, Lionel'
'de Cian, André'
'Pfeffer, Michel'
'Le Goff, Xavier-Frédéric'
'Ricard, Louis'
_publ_section_title
;
 Stereoselective Cyclometalation of Planar Pro-chiral
 (η6-Arene)tricarbonylchromium Complexes withOC-6-[Ru(CO)2Cl2]n
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              4180
_journal_paper_doi               10.1021/om070239p
_journal_volume                  26
_journal_year                    2007
_chemical_formula_moiety
'C34 H24 Cl2 Fe2 N2 O4 Ru2, C H2 Cl2, C H2 Cl2'
_chemical_formula_sum            'C36 H28 Cl6 Fe2 N2 O4 Ru2'
_chemical_formula_weight         1079.14
_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                116.896(5)
_cell_angle_beta                 101.656(4)
_cell_angle_gamma                96.700(5)
_cell_formula_units_Z            2
_cell_length_a                   11.5130(8)
_cell_length_b                   13.3500(9)
_cell_length_c                   14.5880(12)
_cell_measurement_reflns_used    6086
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.878
_cell_measurement_theta_min      0.998
_cell_volume                     1902.0(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0769
_diffrn_reflns_av_sigmaI/netI    0.1826
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13323
_diffrn_reflns_theta_full        27.86
_diffrn_reflns_theta_max         27.86
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    1.990
_exptl_absorpt_correction_T_max  0.8258
_exptl_absorpt_correction_T_min  0.8258
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            violet
_exptl_crystal_density_diffrn    1.884
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.241
_refine_diff_density_min         -1.151
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     461
_refine_ls_number_reflns         9004
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.1871
_refine_ls_R_factor_gt           0.1099
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0769P)²+7.5619P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1729
_refine_ls_wR_factor_ref         0.2031
_reflns_number_gt                5712
_reflns_number_total             9004
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om070239p-file005.cif
_cod_data_source_block           7a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'non' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4073320
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
Ru1 Ru 0.30999(6) 0.70830(6) 0.51108(6) 0.0187(2) Uani 1 1 d .
Ru2 Ru 0.12675(6) 0.73446(6) 0.28240(6) 0.0208(2) Uani 1 1 d .
Cl1 Cl 0.10640(19) 0.7376(2) 0.45005(19) 0.0242(5) Uani 1 1 d .
Cl2 Cl 0.3374(2) 0.7077(2) 0.34372(19) 0.0243(5) Uani 1 1 d .
N1 N 0.2297(6) 0.5226(7) 0.4213(6) 0.0211(17) Uani 1 1 d .
C1 C 0.2317(8) 0.4497(8) 0.3228(8) 0.024(2) Uani 1 1 d .
H1 H 0.2698 0.4795 0.2853 0.029 Uiso 1 1 calc R
C2 C 0.1808(9) 0.3327(9) 0.2729(9) 0.033(2) Uani 1 1 d .
H2 H 0.1841 0.2827 0.2026 0.040 Uiso 1 1 calc R
C3 C 0.1250(8) 0.2897(9) 0.3273(9) 0.033(3) Uani 1 1 d .
H3 H 0.0882 0.2096 0.2947 0.039 Uiso 1 1 calc R
C4 C 0.1233(8) 0.3644(8) 0.4290(8) 0.025(2) Uani 1 1 d .
H4 H 0.0859 0.3354 0.4673 0.030 Uiso 1 1 calc R
C5 C 0.1760(8) 0.4827(8) 0.4774(8) 0.024(2) Uani 1 1 d .
C6 C 0.1804(8) 0.5702(8) 0.5838(8) 0.023(2) Uani 1 1 d .
C7 C 0.1249(8) 0.5662(9) 0.6614(8) 0.027(2) Uani 1 1 d .
H7 H 0.0696 0.4972 0.6532 0.032 Uiso 1 1 calc R
C8 C 0.1618(8) 0.6795(9) 0.7527(8) 0.029(2) Uani 1 1 d .
H8 H 0.1374 0.7043 0.8203 0.035 Uiso 1 1 calc R
C9 C 0.2410(8) 0.7528(9) 0.7293(9) 0.030(2) Uani 1 1 d .
H9 H 0.2822 0.8363 0.7788 0.036 Uiso 1 1 calc R
C10 C 0.2501(7) 0.6849(8) 0.6247(8) 0.021(2) Uani 1 1 d .
Fe1 Fe 0.30933(11) 0.61441(12) 0.72271(11) 0.0225(3) Uani 1 1 d .
C11 C 0.4432(10) 0.5250(10) 0.6959(9) 0.039(3) Uani 1 1 d .
H11 H 0.4581 0.4794 0.6248 0.047 Uiso 1 1 calc R
C12 C 0.3629(10) 0.4829(10) 0.7384(10) 0.040(3) Uani 1 1 d .
H12 H 0.3125 0.4019 0.7033 0.048 Uiso 1 1 calc R
C13 C 0.3676(9) 0.5721(10) 0.8388(9) 0.037(3) Uani 1 1 d .
H13 H 0.3213 0.5664 0.8880 0.045 Uiso 1 1 calc R
C14 C 0.4506(9) 0.6722(10) 0.8592(9) 0.035(3) Uani 1 1 d .
H14 H 0.4713 0.7499 0.9248 0.042 Uiso 1 1 calc R
C15 C 0.4983(9) 0.6440(11) 0.7706(9) 0.036(3) Uani 1 1 d .
H15 H 0.5584 0.6972 0.7620 0.043 Uiso 1 1 calc R
C16 C 0.4613(8) 0.6827(9) 0.5514(8) 0.024(2) Uani 1 1 d .
O1 O 0.5534(5) 0.6635(6) 0.5725(6) 0.0346(17) Uani 1 1 d .
C17 C 0.3704(8) 0.8684(9) 0.6045(8) 0.026(2) Uani 1 1 d .
O2 O 0.4052(7) 0.9633(6) 0.6629(7) 0.047(2) Uani 1 1 d .
N2 N 0.1944(6) 0.9200(6) 0.3740(6) 0.0211(17) Uani 1 1 d .
C18 C 0.3140(8) 0.9789(8) 0.4182(8) 0.027(2) Uani 1 1 d .
H18 H 0.3757 0.9367 0.4093 0.032 Uiso 1 1 calc R
C19 C 0.3476(8) 1.0969(9) 0.4751(8) 0.031(2) Uani 1 1 d .
H19 H 0.4314 1.1363 0.5054 0.037 Uiso 1 1 calc R
C20 C 0.2581(9) 1.1577(8) 0.4877(8) 0.029(2) Uani 1 1 d .
H20 H 0.2803 1.2399 0.5267 0.035 Uiso 1 1 calc R
C21 C 0.1366(9) 1.1007(8) 0.4445(8) 0.027(2) Uani 1 1 d .
H21 H 0.0743 1.1421 0.4536 0.032 Uiso 1 1 calc R
C22 C 0.1083(8) 0.9820(8) 0.3877(7) 0.021(2) Uani 1 1 d .
C23 C -0.0160(8) 0.9083(8) 0.3388(8) 0.026(2) Uani 1 1 d .
C24 C -0.0327(8) 0.7857(8) 0.2724(7) 0.023(2) Uani 1 1 d .
C25 C -0.1609(8) 0.7380(9) 0.2384(8) 0.030(2) Uani 1 1 d .
H25 H -0.2021 0.6543 0.1900 0.036 Uiso 1 1 calc R
C26 C -0.2220(9) 0.8296(9) 0.2827(8) 0.032(2) Uani 1 1 d .
H26 H -0.3120 0.8199 0.2723 0.038 Uiso 1 1 calc R
C27 C -0.1323(8) 0.9355(9) 0.3447(8) 0.028(2) Uani 1 1 d .
H27 H -0.1470 1.0139 0.3863 0.033 Uiso 1 1 calc R
Fe2 Fe -0.12946(12) 0.85819(13) 0.18920(12) 0.0274(4) Uani 1 1 d .
C28 C -0.1164(11) 0.7960(11) 0.0353(9) 0.046(3) Uani 1 1 d .
H28 H -0.0842 0.7277 -0.0054 0.055 Uiso 1 1 calc R
C29 C -0.0486(10) 0.9122(12) 0.1026(10) 0.047(3) Uani 1 1 d .
H29 H 0.0412 0.9405 0.1181 0.056 Uiso 1 1 calc R
C30 C -0.1280(10) 0.9808(11) 0.1432(10) 0.044(3) Uani 1 1 d .
H30 H -0.1055 1.0664 0.1920 0.053 Uiso 1 1 calc R
C31 C -0.2460(9) 0.9077(10) 0.1019(10) 0.041(3) Uani 1 1 d .
H31 H -0.3219 0.9326 0.1170 0.049 Uiso 1 1 calc R
C32 C -0.2388(10) 0.7958(11) 0.0383(10) 0.045(3) Uani 1 1 d .
H32 H -0.3088 0.7261 -0.0004 0.055 Uiso 1 1 calc R
C33 C 0.1385(8) 0.7339(8) 0.1577(8) 0.026(2) Uani 1 1 d .
O3 O 0.1433(6) 0.7338(7) 0.0800(6) 0.043(2) Uani 1 1 d .
C34 C 0.0482(9) 0.5775(9) 0.2002(9) 0.032(2) Uani 1 1 d .
O4 O -0.0024(7) 0.4831(7) 0.1483(7) 0.050(2) Uani 1 1 d .
C35 C 0.4621(10) 0.6320(12) 0.1276(10) 0.056(4) Uani 1 1 d .
H35A H 0.4964 0.6422 0.2001 0.067 Uiso 1 1 calc R
H35B H 0.5228 0.6082 0.0875 0.067 Uiso 1 1 calc R
Cl4 Cl 0.3213(5) 0.5157(3) 0.0585(3) 0.0835(13) Uani 1 1 d .
Cl3 Cl 0.4417(3) 0.7565(3) 0.1396(3) 0.0585(9) Uani 1 1 d .
C36 C 0.300(2) 0.992(4) 0.0860(18) 0.128(11) Uiso 0.50 1 d PD
Cl5 Cl 0.4404(6) 1.0009(6) 0.0609(6) 0.0649(18) Uiso 0.50 1 d PD
Cl6 Cl 0.2996(3) 1.0611(4) 0.2167(3) 0.0753(11) Uiso 1 1 d D
C37 C 0.314(4) 1.052(2) 0.1006(19) 0.128(11) Uiso 0.50 1 d PD
Cl7 Cl 0.3086(8) 0.9112(8) 0.0200(8) 0.094(3) Uiso 0.50 1 d PD
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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 '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_3
C16 Ru1 C17 90.7(4) .
C16 Ru1 C10 93.7(3) .
C17 Ru1 C10 92.1(4) .
C16 Ru1 N1 90.6(4) .
C17 Ru1 N1 171.7(3) .
C10 Ru1 N1 79.6(3) .
C16 Ru1 Cl1 177.9(3) .
C17 Ru1 Cl1 90.8(3) .
C10 Ru1 Cl1 87.7(2) .
N1 Ru1 Cl1 88.13(19) .
C16 Ru1 Cl2 95.2(3) .
C17 Ru1 Cl2 97.0(3) .
C10 Ru1 Cl2 167.1(3) .
N1 Ru1 Cl2 91.0(2) .
Cl1 Ru1 Cl2 83.16(7) .
C33 Ru2 C34 88.7(4) .
C33 Ru2 C24 91.7(4) .
C34 Ru2 C24 93.2(4) .
C33 Ru2 N2 91.3(4) .
C34 Ru2 N2 172.6(4) .
C24 Ru2 N2 79.4(3) .
C33 Ru2 Cl1 178.5(3) .
C34 Ru2 Cl1 91.6(3) .
C24 Ru2 Cl1 86.9(2) .
N2 Ru2 Cl1 88.25(19) .
C33 Ru2 Cl2 98.7(3) .
C34 Ru2 Cl2 96.8(3) .
C24 Ru2 Cl2 165.7(3) .
N2 Ru2 Cl2 90.5(2) .
Cl1 Ru2 Cl2 82.65(7) .
Ru1 Cl1 Ru2 98.31(8) .
Ru1 Cl2 Ru2 95.86(8) .
C1 N1 C5 120.2(8) .
C1 N1 Ru1 126.5(6) .
C5 N1 Ru1 113.3(6) .
N1 C1 C2 122.6(9) .
N1 C1 H1 118.7 .
C2 C1 H1 118.7 .
C1 C2 C3 118.6(10) .
C1 C2 H2 120.7 .
C3 C2 H2 120.7 .
C4 C3 C2 119.0(9) .
C4 C3 H3 120.5 .
C2 C3 H3 120.5 .
C3 C4 C5 121.0(9) .
C3 C4 H4 119.5 .
C5 C4 H4 119.5 .
N1 C5 C4 118.6(9) .
N1 C5 C6 115.0(8) .
C4 C5 C6 126.4(8) .
C7 C6 C10 109.4(9) .
C7 C6 C5 132.0(9) .
C10 C6 C5 118.6(8) .
C7 C6 Fe1 69.1(5) .
C10 C6 Fe1 71.7(5) .
C5 C6 Fe1 126.0(6) .
C6 C7 C8 107.2(8) .
C6 C7 Fe1 69.9(5) .
C8 C7 Fe1 69.6(5) .
C6 C7 H7 126.4 .
C8 C7 H7 126.4 .
Fe1 C7 H7 126.4 .
C7 C8 C9 107.6(9) .
C7 C8 Fe1 69.2(5) .
C9 C8 Fe1 70.2(5) .
C7 C8 H8 126.2 .
C9 C8 H8 126.2 .
Fe1 C8 H8 126.2 .
C10 C9 C8 108.0(9) .
C10 C9 Fe1 71.2(5) .
C8 C9 Fe1 68.1(5) .
C10 C9 H9 126.0 .
C8 C9 H9 126.0 .
Fe1 C9 H9 126.0 .
C9 C10 C6 107.7(8) .
C9 C10 Ru1 138.5(7) .
C6 C10 Ru1 112.9(7) .
C9 C10 Fe1 69.0(5) .
C6 C10 Fe1 67.9(5) .
Ru1 C10 Fe1 134.8(4) .
C12 Fe1 C7 107.1(4) .
C12 Fe1 C8 129.3(4) .
C7 Fe1 C8 41.2(4) .
C12 Fe1 C13 40.2(4) .
C7 Fe1 C13 112.1(4) .
C8 Fe1 C13 105.5(4) .
C12 Fe1 C6 116.4(4) .
C7 Fe1 C6 41.0(3) .
C8 Fe1 C6 68.7(4) .
C13 Fe1 C6 145.8(4) .
C12 Fe1 C11 40.5(4) .
C7 Fe1 C11 132.7(5) .
C8 Fe1 C11 169.6(4) .
C13 Fe1 C11 67.7(4) .
C6 Fe1 C11 112.2(4) .
C12 Fe1 C14 67.9(5) .
C7 Fe1 C14 144.2(4) .
C8 Fe1 C14 113.0(4) .
C13 Fe1 C14 40.7(4) .
C6 Fe1 C14 173.4(4) .
C11 Fe1 C14 67.4(5) .
C12 Fe1 C9 169.5(4) .
C7 Fe1 C9 69.5(4) .
C8 Fe1 C9 41.7(4) .
C13 Fe1 C9 130.8(4) .
C6 Fe1 C9 68.0(4) .
C11 Fe1 C9 148.7(4) .
C14 Fe1 C9 108.7(4) .
C12 Fe1 C15 68.3(4) .
C7 Fe1 C15 172.9(5) .
C8 Fe1 C15 145.8(5) .
C13 Fe1 C15 68.2(4) .
C6 Fe1 C15 135.4(4) .
C11 Fe1 C15 40.4(4) .
C14 Fe1 C15 40.1(4) .
C9 Fe1 C15 116.0(4) .
C12 Fe1 C10 149.4(5) .
C7 Fe1 C10 68.8(3) .
C8 Fe1 C10 68.6(4) .
C13 Fe1 C10 170.4(4) .
C6 Fe1 C10 40.4(3) .
C11 Fe1 C10 119.3(4) .
C14 Fe1 C10 133.5(4) .
C9 Fe1 C10 39.8(4) .
C15 Fe1 C10 112.2(4) .
C12 C11 C15 108.4(10) .
C12 C11 Fe1 68.6(6) .
C15 C11 Fe1 70.8(6) .
C12 C11 H11 125.8 .
C15 C11 H11 125.8 .
Fe1 C11 H11 125.8 .
C13 C12 C11 108.6(10) .
C13 C12 Fe1 70.4(6) .
C11 C12 Fe1 71.0(6) .
C13 C12 H12 125.7 .
C11 C12 H12 125.7 .
Fe1 C12 H12 125.7 .
C12 C13 C14 107.9(10) .
C12 C13 Fe1 69.4(6) .
C14 C13 Fe1 70.4(5) .
C12 C13 H13 126.0 .
C14 C13 H13 126.0 .
Fe1 C13 H13 126.0 .
C15 C14 C13 108.6(11) .
C15 C14 Fe1 70.8(6) .
C13 C14 Fe1 68.9(6) .
C15 C14 H14 125.7 .
C13 C14 H14 125.7 .
Fe1 C14 H14 125.7 .
C14 C15 C11 106.5(10) .
C14 C15 Fe1 69.0(5) .
C11 C15 Fe1 68.8(6) .
C14 C15 H15 126.8 .
C11 C15 H15 126.8 .
Fe1 C15 H15 126.8 .
O1 C16 Ru1 177.5(10) .
O2 C17 Ru1 177.6(9) .
C22 N2 C18 118.0(8) .
C22 N2 Ru2 115.7(6) .
C18 N2 Ru2 126.3(6) .
N2 C18 C19 121.8(9) .
N2 C18 H18 119.1 .
C19 C18 H18 119.1 .
C18 C19 C20 118.9(9) .
C18 C19 H19 120.5 .
C20 C19 H19 120.5 .
C21 C20 C19 120.6(9) .
C21 C20 H20 119.7 .
C19 C20 H20 119.7 .
C22 C21 C20 117.9(9) .
C22 C21 H21 121.1 .
C20 C21 H21 121.1 .
N2 C22 C21 122.7(8) .
N2 C22 C23 112.5(8) .
C21 C22 C23 124.7(8) .
C27 C23 C24 109.9(8) .
C27 C23 C22 131.4(9) .
C24 C23 C22 118.7(8) .
C27 C23 Fe2 68.5(5) .
C24 C23 Fe2 71.4(5) .
C22 C23 Fe2 127.0(6) .
C25 C24 C23 105.8(8) .
C25 C24 Ru2 139.7(7) .
C23 C24 Ru2 112.8(6) .
C25 C24 Fe2 68.3(5) .
C23 C24 Fe2 68.2(5) .
Ru2 C24 Fe2 137.2(4) .
C24 C25 C26 109.3(9) .
C24 C25 Fe2 71.7(5) .
C26 C25 Fe2 68.2(5) .
C24 C25 H25 125.3 .
C26 C25 H25 125.3 .
Fe2 C25 H25 125.3 .
C27 C26 C25 108.1(8) .
C27 C26 Fe2 69.8(5) .
C25 C26 Fe2 70.5(5) .
C27 C26 H26 125.9 .
C25 C26 H26 125.9 .
Fe2 C26 H26 125.9 .
C26 C27 C23 106.9(9) .
C26 C27 Fe2 69.3(6) .
C23 C27 Fe2 70.4(6) .
C26 C27 H27 126.6 .
C23 C27 H27 126.6 .
Fe2 C27 H27 126.6 .
C32 Fe2 C26 111.4(4) .
C32 Fe2 C30 67.9(5) .
C26 Fe2 C30 129.7(5) .
C32 Fe2 C29 68.0(5) .
C26 Fe2 C29 169.9(5) .
C30 Fe2 C29 40.2(5) .
C32 Fe2 C27 141.4(4) .
C26 Fe2 C27 40.9(4) .
C30 Fe2 C27 107.0(5) .
C29 Fe2 C27 133.6(5) .
C32 Fe2 C31 39.8(5) .
C26 Fe2 C31 105.1(4) .
C30 Fe2 C31 40.6(4) .
C29 Fe2 C31 67.7(4) .
C27 Fe2 C31 110.9(4) .
C32 Fe2 C28 40.7(4) .
C26 Fe2 C28 144.7(5) .
C30 Fe2 C28 68.0(5) .
C29 Fe2 C28 40.6(5) .
C27 Fe2 C28 174.1(5) .
C31 Fe2 C28 67.7(5) .
C32 Fe2 C25 109.1(4) .
C26 Fe2 C25 41.3(4) .
C30 Fe2 C25 169.9(4) .
C29 Fe2 C25 148.8(5) .
C27 Fe2 C25 68.9(4) .
C31 Fe2 C25 131.1(4) .
C28 Fe2 C25 116.5(5) .
C32 Fe2 C23 175.3(4) .
C26 Fe2 C23 68.2(4) .
C30 Fe2 C23 116.1(4) .
C29 Fe2 C23 113.2(4) .
C27 Fe2 C23 41.1(3) .
C31 Fe2 C23 144.9(4) .
C28 Fe2 C23 137.4(4) .
C25 Fe2 C23 67.4(4) .
C32 Fe2 C24 134.9(4) .
C26 Fe2 C24 68.9(4) .
C30 Fe2 C24 148.4(4) .
C29 Fe2 C24 119.1(4) .
C27 Fe2 C24 69.4(4) .
C31 Fe2 C24 170.9(4) .
C28 Fe2 C24 113.0(4) .
C25 Fe2 C24 40.0(3) .
C23 Fe2 C24 40.4(4) .
C29 C28 C32 106.2(11) .
C29 C28 Fe2 68.7(7) .
C32 C28 Fe2 68.4(7) .
C29 C28 H28 126.9 .
C32 C28 H28 126.9 .
Fe2 C28 H28 126.9 .
C30 C29 C28 108.7(10) .
C30 C29 Fe2 69.8(6) .
C28 C29 Fe2 70.7(6) .
C30 C29 H29 125.6 .
C28 C29 H29 125.6 .
Fe2 C29 H29 125.6 .
C29 C30 C31 107.6(11) .
C29 C30 Fe2 69.9(6) .
C31 C30 Fe2 69.9(6) .
C29 C30 H30 126.2 .
C31 C30 H30 126.2 .
Fe2 C30 H30 126.2 .
C32 C31 C30 108.4(10) .
C32 C31 Fe2 69.7(6) .
C30 C31 Fe2 69.5(6) .
C32 C31 H31 125.8 .
C30 C31 H31 125.8 .
Fe2 C31 H31 125.8 .
C31 C32 C28 109.0(10) .
C31 C32 Fe2 70.5(7) .
C28 C32 Fe2 70.9(6) .
C31 C32 H32 125.5 .
C28 C32 H32 125.5 .
Fe2 C32 H32 125.5 .
O3 C33 Ru2 178.5(8) .
O4 C34 Ru2 177.7(9) .
Cl3 C35 Cl4 113.7(6) .
Cl3 C35 H35A 108.8 .
Cl4 C35 H35A 108.8 .
Cl3 C35 H35B 108.8 .
Cl4 C35 H35B 108.8 .
H35A C35 H35B 107.7 .
Cl6 C36 Cl5 117.3(15) .
C36 Cl5 Cl5 148.9(12) 2_675
Cl6 C37 Cl7 105.1(13) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C16 1.845(9) .
Ru1 C17 1.882(11) .
Ru1 C10 2.050(9) .
Ru1 N1 2.180(8) .
Ru1 Cl1 2.475(2) .
Ru1 Cl2 2.521(2) .
Ru2 C33 1.847(10) .
Ru2 C34 1.869(11) .
Ru2 C24 2.034(9) .
Ru2 N2 2.159(8) .
Ru2 Cl1 2.486(2) .
Ru2 Cl2 2.535(2) .
N1 C1 1.328(12) .
N1 C5 1.363(11) .
C1 C2 1.378(14) .
C1 H1 0.9500 .
C2 C3 1.380(14) .
C2 H2 0.9500 .
C3 C4 1.368(14) .
C3 H3 0.9500 .
C4 C5 1.398(13) .
C4 H4 0.9500 .
C5 C6 1.446(14) .
C6 C7 1.425(12) .
C6 C10 1.428(13) .
C6 Fe1 2.038(9) .
C7 C8 1.429(14) .
C7 Fe1 2.028(9) .
C7 H7 1.0000 .
C8 C9 1.457(13) .
C8 Fe1 2.033(9) .
C8 H8 1.0000 .
C9 C10 1.412(14) .
C9 Fe1 2.061(9) .
C9 H9 1.0000 .
C10 Fe1 2.089(8) .
Fe1 C12 2.019(10) .
Fe1 C13 2.033(9) .
Fe1 C11 2.050(10) .
Fe1 C14 2.052(10) .
Fe1 C15 2.076(10) .
C11 C12 1.408(15) .
C11 C15 1.426(16) .
C11 H11 1.0000 .
C12 C13 1.392(15) .
C12 H12 1.0000 .
C13 C14 1.419(15) .
C13 H13 1.0000 .
C14 C15 1.417(14) .
C14 H14 1.0000 .
C15 H15 1.0000 .
C16 O1 1.135(10) .
C17 O2 1.122(11) .
N2 C22 1.353(11) .
N2 C18 1.364(11) .
C18 C19 1.365(14) .
C18 H18 0.9500 .
C19 C20 1.376(13) .
C19 H19 0.9500 .
C20 C21 1.376(13) .
C20 H20 0.9500 .
C21 C22 1.374(13) .
C21 H21 0.9500 .
C22 C23 1.466(12) .
C23 C27 1.436(12) .
C23 C24 1.439(13) .
C23 Fe2 2.059(9) .
C24 C25 1.424(12) .
C24 Fe2 2.102(8) .
C25 C26 1.441(14) .
C25 Fe2 2.058(9) .
C25 H25 1.0000 .
C26 C27 1.418(13) .
C26 Fe2 2.027(10) .
C26 H26 1.0000 .
C27 Fe2 2.033(10) .
C27 H27 1.0000 .
Fe2 C32 2.025(11) .
Fe2 C30 2.030(10) .
Fe2 C29 2.031(11) .
Fe2 C31 2.035(10) .
Fe2 C28 2.058(12) .
C28 C29 1.418(17) .
C28 C32 1.419(15) .
C28 H28 1.0000 .
C29 C30 1.396(17) .
C29 H29 1.0000 .
C30 C31 1.410(14) .
C30 H30 1.0000 .
C31 C32 1.381(16) .
C31 H31 1.0000 .
C32 H32 1.0000 .
C33 O3 1.146(11) .
C34 O4 1.135(12) .
C35 Cl3 1.641(13) .
C35 Cl4 1.842(13) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 Cl6 1.704(19) .
C36 Cl5 1.726(19) .
Cl5 Cl5 2.448(13) 2_675
Cl6 C37 1.689(19) .
C37 Cl7 1.697(19) .
