# Electronic Supplementary Material (ESI) for CrystEngComm
# This journal is © The Royal Society of Chemistry 2013


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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication 
#  deposited with the CCDC, and may include chemical, crystal,   
#  experimental, refinement, atomic coordinates, 
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted. 
# 
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#  fide research purposes only. It may contain copyright material 
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data_coru
_database_code_depnum_ccdc_archive 'CCDC 913500'
#TrackingRef 'web_deposit_cif_file_3_BinLiu_1354338974.CoRuCl-over.cif'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C4 H17 Cl1 Co2 O21 Ru2), 15(H2 O)'
_chemical_formula_sum            'C8 H64 Cl2 Co4 O57 Ru4'
_chemical_formula_weight         1783.49
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'
Co Co 0.3494 0.9721 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  -P1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
_cell_length_a                   8.9442(18)
_cell_length_b                   9.2624(19)
_cell_length_c                   16.481(3)
_cell_angle_alpha                94.62(3)
_cell_angle_beta                 97.63(3)
_cell_angle_gamma                104.75(3)
_cell_volume                     1299.3(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_exptl_crystal_description       block
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.279
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             886
_exptl_absorpt_coefficient_mu    2.612
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6231
_exptl_absorpt_correction_T_max  0.6953
_exptl_absorpt_process_details   sadab
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11110
_diffrn_reflns_av_R_equivalents  0.0585
_diffrn_reflns_av_sigmaI/netI    0.0679
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.05
_diffrn_reflns_theta_max         25.05
_reflns_number_total             4594
_reflns_number_gt                3939
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0751P)^2^+14.0241P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4594
_refine_ls_number_parameters     343
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0773
_refine_ls_R_factor_gt           0.0691
_refine_ls_wR_factor_ref         0.1866
_refine_ls_wR_factor_gt          0.1807
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_restrained_S_all      1.119
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
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 0.73784(8) 0.31810(7) 0.19203(4) 0.0185(2) Uani 1 1 d . . .
Ru2 Ru 0.79859(8) 0.21029(8) 0.30558(4) 0.0189(2) Uani 1 1 d . . .
Co1 Co 0.5000 0.5000 0.5000 0.0261(4) Uani 1 2 d S . .
Co2 Co 0.27319(14) -0.24264(13) 0.24531(7) 0.0239(3) Uani 1 1 d . . .
Co3 Co 1.0000 0.0000 0.0000 0.0283(4) Uani 1 2 d S . .
Cl1 Cl 0.6714(4) 0.4439(4) 0.0640(2) 0.0568(8) Uani 1 1 d . . .
C1 C 0.6204(9) 0.4219(9) 0.3365(5) 0.0191(18) Uani 1 1 d . . .
C2 C 0.5035(10) 0.0444(9) 0.2066(6) 0.0242(19) Uani 1 1 d . . .
C3 C 0.9111(11) 0.0980(10) 0.1634(5) 0.025(2) Uani 1 1 d . . .
C4 C 1.0359(10) 0.4802(10) 0.2901(5) 0.0229(19) Uani 1 1 d . . .
O1 O 0.6284(7) 0.4408(7) 0.2600(4) 0.0249(14) Uani 1 1 d . . .
O2 O 0.6862(7) 0.3281(7) 0.3710(4) 0.0234(13) Uani 1 1 d . . .
O3 O 0.5476(8) 0.4963(7) 0.3762(4) 0.0310(15) Uani 1 1 d . . .
O4 O 0.5352(7) 0.1538(7) 0.1612(4) 0.0261(14) Uani 1 1 d . . .
O5 O 0.5988(7) 0.0433(7) 0.2722(4) 0.0261(14) Uani 1 1 d . . .
O6 O 0.3759(7) -0.0597(7) 0.1849(4) 0.0307(15) Uani 1 1 d . . .
O7 O 0.8462(8) 0.1912(7) 0.1273(4) 0.0269(14) Uani 1 1 d . . .
O8 O 0.9135(8) 0.0908(7) 0.2410(4) 0.0294(15) Uani 1 1 d . . .
O9 O 0.9777(8) 0.0165(8) 0.1233(4) 0.0330(16) Uani 1 1 d . . .
O10 O 0.9408(7) 0.4829(7) 0.2238(4) 0.0244(14) Uani 1 1 d . . .
O11 O 1.0004(7) 0.3769(7) 0.3376(4) 0.0276(14) Uani 1 1 d . . .
O12 O 1.1649(7) 0.5817(7) 0.3099(4) 0.0285(15) Uani 1 1 d . . .
O13 O 0.8651(9) 0.0989(8) 0.4253(4) 0.0389(17) Uani 1 1 d . . .
O14 O 0.3357(9) 0.6149(9) 0.4631(4) 0.0409(18) Uani 1 1 d . . .
H14A H 0.2919 0.6343 0.5038 0.061 Uiso 1 1 d R . .
H14C H 0.2671 0.5603 0.4246 0.061 Uiso 1 1 d R . .
O15 O 0.3269(9) 0.2978(8) 0.4693(5) 0.0454(19) Uani 1 1 d . . .
H15A H 0.2866 0.2730 0.5117 0.068 Uiso 1 1 d R . .
H15B H 0.2564 0.3082 0.4320 0.068 Uiso 1 1 d R . .
H15C H 0.3668 0.2297 0.4516 0.068 Uiso 1 1 d R . .
O16 O 0.2591(10) -0.0941(8) 0.3445(5) 0.0470(19) Uani 1 1 d . . .
H16A H 0.2181 -0.1440 0.3808 0.070 Uiso 1 1 d R . .
H16B H 0.3506 -0.0410 0.3652 0.070 Uiso 1 1 d R . .
O17 O 0.0636(8) -0.2296(9) 0.1795(5) 0.048(2) Uani 1 1 d . . .
H17A H -0.0113 -0.2972 0.1917 0.071 Uiso 1 1 d R . .
H17B H 0.0502 -0.1435 0.1923 0.071 Uiso 1 1 d R . .
O18 O 0.2918(11) -0.3853(9) 0.1448(5) 0.056(2) Uani 1 1 d . . .
H18A H 0.2550 -0.4761 0.1530 0.083 Uiso 1 1 d R . .
H18B H 0.2399 -0.3675 0.1015 0.083 Uiso 1 1 d R . .
O19 O 0.4861(8) -0.2644(8) 0.3056(4) 0.0351(16) Uani 1 1 d . . .
H19A H 0.4682 -0.3365 0.3348 0.053 Uiso 1 1 d R . .
H19C H 0.5339 -0.1833 0.3364 0.053 Uiso 1 1 d R . .
O20 O 1.2188(8) -0.0514(9) 0.0316(4) 0.0401(18) Uani 1 1 d . . .
H20A H 1.2030 -0.1459 0.0314 0.060 Uiso 1 1 d R . .
H20C H 1.2618 -0.0077 0.0795 0.060 Uiso 1 1 d R . .
O21 O 1.1202(9) 0.2293(8) 0.0132(5) 0.0433(18) Uani 1 1 d . . .
H21A H 1.0548 0.2804 0.0027 0.065 Uiso 1 1 d R . .
H21C H 1.1854 0.2435 -0.0204 0.065 Uiso 1 1 d R . .
O28 O 0.2404(9) 0.1862(9) 0.3081(5) 0.047(2) Uani 1 1 d . . .
H28B H 0.1865 0.2624 0.2996 0.070 Uiso 1 1 d R . .
H28C H 0.1969 0.1026 0.2659 0.070 Uiso 1 1 d R . .
O23 O 0.3006(9) 0.3262(9) 0.1673(5) 0.053(2) Uani 1 1 d . . .
H23D H 0.3857 0.3519 0.2126 0.064 Uiso 1 1 d R . .
H23C H 0.3191 0.2549 0.1269 0.080 Uiso 1 1 d R . .
O24 O 0.5947(11) 0.9344(10) 0.4594(5) 0.062(2) Uani 1 1 d . . .
H24B H 0.6982 0.9970 0.4593 0.093 Uiso 1 1 d R . .
H24C H 0.5191 0.9782 0.4314 0.093 Uiso 1 1 d R . .
O25 O 0.9457(12) 0.8419(12) 0.3599(6) 0.076(3) Uani 1 1 d . . .
H25A H 0.9745 0.8519 0.4187 0.114 Uiso 1 1 d R . .
H25C H 0.8808 0.9071 0.3458 0.114 Uiso 1 1 d R . .
O26 O 0.0519(11) 0.3563(12) 0.5249(6) 0.077(3) Uani 1 1 d . . .
H26B H 0.1187 0.4475 0.5557 0.116 Uiso 1 1 d R . .
H26C H -0.0397 0.3766 0.4960 0.116 Uiso 1 1 d R . .
O27 O 0.7213(12) 0.7407(10) 0.2100(7) 0.078(3) Uani 1 1 d . . .
H27B H 0.7714 0.8074 0.1740 0.118 Uiso 1 1 d R . .
H27C H 0.6098 0.7222 0.1965 0.118 Uiso 1 1 d R . .
O22 O 0.4011(15) 0.1982(14) 0.9492(8) 0.107(4) Uani 1 1 d . . .
H22A H 0.3756 0.1012 0.9685 0.161 Uiso 1 1 d R . .
H22B H 0.4993 0.2582 0.9795 0.161 Uiso 1 1 d R . .
O29 O 1.0000 0.5000 0.0000 0.169(12) Uani 1 2 d S . .
H29A H 0.9106 0.4433 0.0209 0.254 Uiso 0.50 1 d PR . .
H29B H 1.0241 0.6037 0.0224 0.254 Uiso 0.50 1 d PR . .
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
Ru1 0.0192(4) 0.0188(4) 0.0176(4) 0.0067(3) 0.0033(3) 0.0035(3)
Ru2 0.0198(4) 0.0211(4) 0.0172(4) 0.0069(3) 0.0046(3) 0.0057(3)
Co1 0.0311(10) 0.0295(10) 0.0201(9) 0.0039(7) 0.0025(7) 0.0129(8)
Co2 0.0228(6) 0.0230(7) 0.0246(7) 0.0090(5) 0.0022(5) 0.0028(5)
Co3 0.0375(11) 0.0317(10) 0.0191(9) 0.0027(7) 0.0023(7) 0.0164(8)
Cl1 0.0533(18) 0.064(2) 0.0515(18) 0.0349(15) 0.0001(14) 0.0082(15)
C1 0.015(4) 0.019(4) 0.024(5) 0.008(3) 0.009(3) 0.001(3)
C2 0.025(5) 0.018(4) 0.025(5) 0.002(4) 0.002(4) -0.002(4)
C3 0.028(5) 0.027(5) 0.020(5) 0.007(4) 0.006(4) 0.006(4)
C4 0.024(5) 0.030(5) 0.015(4) 0.004(4) 0.004(3) 0.007(4)
O1 0.029(3) 0.025(3) 0.024(3) 0.008(3) 0.008(3) 0.010(3)
O2 0.027(3) 0.029(3) 0.019(3) 0.007(3) 0.007(3) 0.012(3)
O3 0.041(4) 0.036(4) 0.024(4) 0.010(3) 0.010(3) 0.021(3)
O4 0.029(3) 0.021(3) 0.025(3) 0.010(3) -0.001(3) 0.000(3)
O5 0.030(4) 0.023(3) 0.022(3) 0.008(3) -0.001(3) 0.004(3)
O6 0.028(4) 0.027(4) 0.031(4) 0.014(3) -0.001(3) -0.004(3)
O7 0.037(4) 0.031(4) 0.017(3) 0.004(3) 0.004(3) 0.016(3)
O8 0.041(4) 0.035(4) 0.020(3) 0.006(3) 0.008(3) 0.021(3)
O9 0.049(4) 0.037(4) 0.023(4) 0.007(3) 0.010(3) 0.027(3)
O10 0.022(3) 0.021(3) 0.026(3) 0.012(3) 0.003(3) -0.003(3)
O11 0.027(3) 0.029(3) 0.024(3) 0.014(3) 0.002(3) -0.001(3)
O12 0.019(3) 0.033(4) 0.029(4) 0.014(3) 0.003(3) -0.004(3)
O13 0.041(4) 0.045(4) 0.034(4) 0.013(3) -0.001(3) 0.020(4)
O14 0.053(5) 0.061(5) 0.020(4) 0.005(3) 0.002(3) 0.036(4)
O15 0.049(5) 0.041(4) 0.035(4) -0.003(3) -0.002(3) -0.002(4)
O16 0.058(5) 0.042(4) 0.042(5) 0.000(3) 0.017(4) 0.011(4)
O17 0.028(4) 0.046(5) 0.067(6) 0.025(4) -0.004(4) 0.007(3)
O18 0.073(6) 0.041(5) 0.051(5) 0.003(4) 0.021(4) 0.007(4)
O19 0.027(4) 0.032(4) 0.046(4) 0.015(3) 0.004(3) 0.006(3)
O20 0.036(4) 0.055(5) 0.031(4) -0.003(3) -0.004(3) 0.022(4)
O21 0.049(5) 0.035(4) 0.046(5) 0.008(3) 0.010(4) 0.010(4)
O28 0.045(5) 0.042(4) 0.052(5) -0.003(4) -0.007(4) 0.019(4)
O23 0.040(5) 0.057(5) 0.060(6) -0.001(4) -0.006(4) 0.018(4)
O24 0.061(6) 0.060(6) 0.060(6) 0.012(4) 0.008(4) 0.008(5)
O25 0.079(7) 0.101(8) 0.077(7) 0.032(6) 0.043(6) 0.053(6)
O26 0.057(6) 0.097(8) 0.061(6) -0.004(5) 0.011(5) -0.008(5)
O27 0.076(7) 0.049(6) 0.115(9) 0.015(5) 0.054(6) 0.002(5)
O22 0.099(10) 0.086(9) 0.123(11) 0.006(8) 0.021(8) 0.000(7)
O29 0.18(2) 0.27(3) 0.15(2) 0.12(2) 0.089(18) 0.16(2)
_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 O4 2.021(6) . ?
Ru1 O7 2.028(6) . ?
Ru1 O10 2.027(6) . ?
Ru1 O1 2.039(6) . ?
Ru1 Ru2 2.2588(11) . ?
Ru1 Cl1 2.565(3) . ?
Ru2 O2 2.005(6) . ?
Ru2 O5 2.020(6) . ?
Ru2 O8 2.024(6) . ?
Ru2 O11 2.029(6) . ?
Ru2 O13 2.374(7) . ?
Co1 O14 2.080(6) 2_666 ?
Co1 O14 2.080(6) . ?
Co1 O15 2.079(7) 2_666 ?
Co1 O15 2.079(7) . ?
Co1 O3 2.139(6) 2_666 ?
Co1 O3 2.139(6) . ?
Co2 O17 2.074(7) . ?
Co2 O18 2.085(8) . ?
Co2 O16 2.088(7) . ?
Co2 O19 2.092(7) . ?
Co2 O6 2.105(6) . ?
Co2 O12 2.114(6) 1_445 ?
Co3 O9 2.066(6) 2_755 ?
Co3 O9 2.066(6) . ?
Co3 O21 2.101(7) . ?
Co3 O21 2.101(7) 2_755 ?
Co3 O20 2.138(7) 2_755 ?
Co3 O20 2.138(7) . ?
C1 O3 1.262(10) . ?
C1 O1 1.295(10) . ?
C1 O2 1.295(10) . ?
C2 O6 1.278(11) . ?
C2 O5 1.287(11) . ?
C2 O4 1.305(10) . ?
C3 O9 1.270(11) . ?
C3 O8 1.284(11) . ?
C3 O7 1.297(11) . ?
C4 O12 1.273(11) . ?
C4 O11 1.288(10) . ?
C4 O10 1.299(10) . ?
O12 Co2 2.114(6) 1_665 ?
O14 H14A 0.8498 . ?
O14 H14C 0.8500 . ?
O15 H15A 0.8501 . ?
O15 H15B 0.8500 . ?
O15 H15C 0.8500 . ?
O16 H16A 0.8499 . ?
O16 H16B 0.8500 . ?
O17 H17A 0.8500 . ?
O17 H17B 0.8500 . ?
O18 H18A 0.8501 . ?
O18 H18B 0.8500 . ?
O19 H19A 0.8500 . ?
O19 H19C 0.8501 . ?
O20 H20A 0.8500 . ?
O20 H20C 0.8500 . ?
O21 H21A 0.8501 . ?
O21 H21C 0.8500 . ?
O28 H28B 0.9600 . ?
O28 H28C 0.9600 . ?
O23 H23D 0.9600 . ?
O23 H23C 0.9600 . ?
O24 H24B 0.9600 . ?
O24 H24C 0.9600 . ?
O25 H25A 0.9599 . ?
O25 H25C 0.9602 . ?
O26 H26B 0.9600 . ?
O26 H26C 0.9601 . ?
O27 H27B 0.9601 . ?
O27 H27C 0.9600 . ?
O22 H22A 0.9600 . ?
O22 H22B 0.9600 . ?
O29 H29A 0.9600 . ?
O29 H29B 0.9600 . ?
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
O4 Ru1 O7 89.5(3) . . ?
O4 Ru1 O10 179.6(2) . . ?
O7 Ru1 O10 90.8(3) . . ?
O4 Ru1 O1 89.9(3) . . ?
O7 Ru1 O1 178.1(2) . . ?
O10 Ru1 O1 89.8(3) . . ?
O4 Ru1 Ru2 89.90(17) . . ?
O7 Ru1 Ru2 89.51(17) . . ?
O10 Ru1 Ru2 89.83(17) . . ?
O1 Ru1 Ru2 88.68(17) . . ?
O4 Ru1 Cl1 90.82(18) . . ?
O7 Ru1 Cl1 90.78(19) . . ?
O10 Ru1 Cl1 89.45(18) . . ?
O1 Ru1 Cl1 91.03(19) . . ?
Ru2 Ru1 Cl1 179.23(9) . . ?
O2 Ru2 O5 90.3(3) . . ?
O2 Ru2 O8 179.2(2) . . ?
O5 Ru2 O8 90.0(3) . . ?
O2 Ru2 O11 90.5(3) . . ?
O5 Ru2 O11 179.1(3) . . ?
O8 Ru2 O11 89.3(3) . . ?
O2 Ru2 Ru1 90.89(17) . . ?
O5 Ru2 Ru1 89.71(17) . . ?
O8 Ru2 Ru1 89.87(17) . . ?
O11 Ru2 Ru1 89.93(17) . . ?
O2 Ru2 O13 89.2(2) . . ?
O5 Ru2 O13 90.9(2) . . ?
O8 Ru2 O13 90.0(2) . . ?
O11 Ru2 O13 89.5(2) . . ?
Ru1 Ru2 O13 179.38(19) . . ?
O14 Co1 O14 180.000(2) 2_666 . ?
O14 Co1 O15 89.5(3) 2_666 2_666 ?
O14 Co1 O15 90.5(3) . 2_666 ?
O14 Co1 O15 90.5(3) 2_666 . ?
O14 Co1 O15 89.5(3) . . ?
O15 Co1 O15 180.000(1) 2_666 . ?
O14 Co1 O3 86.6(3) 2_666 2_666 ?
O14 Co1 O3 93.4(3) . 2_666 ?
O15 Co1 O3 90.9(3) 2_666 2_666 ?
O15 Co1 O3 89.1(3) . 2_666 ?
O14 Co1 O3 93.4(3) 2_666 . ?
O14 Co1 O3 86.6(3) . . ?
O15 Co1 O3 89.1(3) 2_666 . ?
O15 Co1 O3 90.9(3) . . ?
O3 Co1 O3 180.000(1) 2_666 . ?
O17 Co2 O18 87.3(4) . . ?
O17 Co2 O16 92.9(3) . . ?
O18 Co2 O16 178.2(3) . . ?
O17 Co2 O19 176.5(3) . . ?
O18 Co2 O19 89.2(3) . . ?
O16 Co2 O19 90.6(3) . . ?
O17 Co2 O6 85.0(3) . . ?
O18 Co2 O6 88.1(3) . . ?
O16 Co2 O6 90.1(3) . . ?
O19 Co2 O6 94.9(3) . . ?
O17 Co2 O12 94.0(3) . 1_445 ?
O18 Co2 O12 94.8(3) . 1_445 ?
O16 Co2 O12 86.9(3) . 1_445 ?
O19 Co2 O12 86.3(3) . 1_445 ?
O6 Co2 O12 176.8(3) . 1_445 ?
O9 Co3 O9 180.0(4) 2_755 . ?
O9 Co3 O21 89.8(3) 2_755 . ?
O9 Co3 O21 90.2(3) . . ?
O9 Co3 O21 90.2(3) 2_755 2_755 ?
O9 Co3 O21 89.8(3) . 2_755 ?
O21 Co3 O21 180.0(4) . 2_755 ?
O9 Co3 O20 89.3(3) 2_755 2_755 ?
O9 Co3 O20 90.7(3) . 2_755 ?
O21 Co3 O20 90.8(3) . 2_755 ?
O21 Co3 O20 89.2(3) 2_755 2_755 ?
O9 Co3 O20 90.7(3) 2_755 . ?
O9 Co3 O20 89.3(3) . . ?
O21 Co3 O20 89.2(3) . . ?
O21 Co3 O20 90.8(3) 2_755 . ?
O20 Co3 O20 180.0(5) 2_755 . ?
O3 C1 O1 118.8(7) . . ?
O3 C1 O2 121.1(7) . . ?
O1 C1 O2 120.1(7) . . ?
O6 C2 O5 121.3(8) . . ?
O6 C2 O4 118.5(8) . . ?
O5 C2 O4 120.1(8) . . ?
O9 C3 O8 119.0(8) . . ?
O9 C3 O7 120.7(8) . . ?
O8 C3 O7 120.2(8) . . ?
O12 C4 O11 119.0(8) . . ?
O12 C4 O10 120.2(8) . . ?
O11 C4 O10 120.8(8) . . ?
C1 O1 Ru1 120.4(5) . . ?
C1 O2 Ru2 119.9(5) . . ?
C1 O3 Co1 132.2(5) . . ?
C2 O4 Ru1 119.8(5) . . ?
C2 O5 Ru2 120.5(5) . . ?
C2 O6 Co2 130.4(6) . . ?
C3 O7 Ru1 120.0(5) . . ?
C3 O8 Ru2 120.1(6) . . ?
C3 O9 Co3 129.9(6) . . ?
C4 O10 Ru1 119.6(5) . . ?
C4 O11 Ru2 119.7(6) . . ?
C4 O12 Co2 130.6(6) . 1_665 ?
Co1 O14 H14A 109.3 . . ?
Co1 O14 H14C 109.3 . . ?
H14A O14 H14C 109.5 . . ?
Co1 O15 H15A 109.4 . . ?
Co1 O15 H15B 109.4 . . ?
H15A O15 H15B 109.5 . . ?
Co1 O15 H15C 109.6 . . ?
H15A O15 H15C 109.5 . . ?
H15B O15 H15C 109.5 . . ?
Co2 O16 H16A 109.3 . . ?
Co2 O16 H16B 109.3 . . ?
H16A O16 H16B 109.5 . . ?
Co2 O17 H17A 109.3 . . ?
Co2 O17 H17B 109.2 . . ?
H17A O17 H17B 109.5 . . ?
Co2 O18 H18A 109.3 . . ?
Co2 O18 H18B 109.3 . . ?
H18A O18 H18B 109.5 . . ?
Co2 O19 H19A 109.2 . . ?
Co2 O19 H19C 109.3 . . ?
H19A O19 H19C 109.5 . . ?
Co3 O20 H20A 109.4 . . ?
Co3 O20 H20C 109.2 . . ?
H20A O20 H20C 109.5 . . ?
Co3 O21 H21A 109.2 . . ?
Co3 O21 H21C 109.2 . . ?
H21A O21 H21C 109.5 . . ?
H28B O28 H28C 109.5 . . ?
H23D O23 H23C 109.5 . . ?
H24B O24 H24C 109.5 . . ?
H25A O25 H25C 109.5 . . ?
H26B O26 H26C 109.5 . . ?
H27B O27 H27C 109.5 . . ?
H22A O22 H22B 109.5 . . ?
H29A O29 H29B 109.5 . . ?
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         3.458
_refine_diff_density_min         -1.268
_refine_diff_density_rms         0.211


data_corubr
_database_code_depnum_ccdc_archive 'CCDC 917009'
#TrackingRef '16359_web_deposit_cif_file_0_BinLiu_1356070818.CoRuBr-over.cif'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'4(C2 H10 Co O11 Ru), 4(C2 H8 Br Co O10 Ru), 21(O2)'
_chemical_formula_sum            'C16 H72 Br4 Co8 O106 Ru8'
_chemical_formula_weight         3560.38
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 2/m'
_symmetry_space_group_name_Hall  '-C 2y'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
_cell_length_a                   15.064(3)
_cell_length_b                   16.143(3)
_cell_length_c                   10.759(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 100.26(3)
_cell_angle_gamma                90.00
_cell_volume                     2574.5(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_exptl_crystal_description       plate
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.296
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1724
_exptl_absorpt_coefficient_mu    4.074
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4963
_exptl_absorpt_correction_T_max  0.6195
_exptl_absorpt_process_details   sadabs
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'APEX II CCD'
_diffrn_measurement_method       '\w-\p scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            10928
_diffrn_reflns_av_R_equivalents  0.0843
_diffrn_reflns_av_sigmaI/netI    0.0632
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.06
_diffrn_reflns_theta_max         25.05
_reflns_number_total             2361
_reflns_number_gt                1932
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0464P)^2^+34.2006P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         2361
_refine_ls_number_parameters     175
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0696
_refine_ls_R_factor_gt           0.0513
_refine_ls_wR_factor_ref         0.1227
_refine_ls_wR_factor_gt          0.1145
_refine_ls_goodness_of_fit_ref   1.083
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
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 0.04479(6) 0.5000 0.09753(8) 0.0137(2) Uani 1 2 d S . .
Ru2 Ru 0.01907(6) 0.0000 0.40307(8) 0.0152(2) Uani 1 2 d S . .
Co1 Co 0.2500 0.2500 0.0000 0.0217(4) Uani 1 2 d S . .
Co2 Co 0.2500 0.2500 0.5000 0.0201(4) Uani 1 2 d S . .
Br3 Br 0.16032(9) 0.5000 0.32359(12) 0.0306(3) Uani 1 2 d S . .
C1 C 0.0980(5) 0.3772(5) -0.0715(7) 0.0199(18) Uani 1 1 d . . .
C2 C 0.1198(5) 0.1202(5) 0.5707(7) 0.0198(18) Uani 1 1 d . . .
O1 O 0.1207(4) 0.4098(3) 0.0386(5) 0.0216(13) Uani 1 1 d . . .
O2 O 0.1382(4) 0.3138(4) -0.1019(5) 0.0282(14) Uani 1 1 d . . .
O3 O 0.0323(4) 0.4086(3) -0.1533(5) 0.0200(12) Uani 1 1 d . . .
O4 O 0.1129(4) 0.0888(3) 0.4584(5) 0.0221(13) Uani 1 1 d . . .
O5 O 0.1736(4) 0.1795(3) 0.6054(5) 0.0240(13) Uani 1 1 d . . .
O6 O 0.0728(4) 0.0901(3) 0.6505(5) 0.0210(12) Uani 1 1 d . . .
O7 O 0.0493(6) 0.0000 0.1954(8) 0.040(2) Uani 1 2 d S . .
H7A H 0.0112 -0.0398 0.1453 0.061 Uiso 0.50 1 d PR . .
H7B H 0.1114 -0.0143 0.1972 0.061 Uiso 0.50 1 d PR . .
O8 O 0.1738(4) 0.1860(4) 0.1153(6) 0.0400(17) Uani 1 1 d . . .
H8A H 0.2132 0.1510 0.1729 0.060 Uiso 1 1 d R . .
H8C H 0.1450 0.2251 0.1622 0.060 Uiso 1 1 d R . .
O9 O 0.2210(4) 0.1567(4) -0.1370(5) 0.0305(15) Uani 1 1 d . . .
H9B H 0.1569 0.1530 -0.1641 0.046 Uiso 1 1 d R . .
H9C H 0.2436 0.1048 -0.1012 0.046 Uiso 1 1 d R . .
O10 O 0.2574(4) 0.1518(4) 0.3705(5) 0.0261(13) Uani 1 1 d . . .
H10A H 0.3081 0.1172 0.4026 0.039 Uiso 1 1 d R . .
H10C H 0.2030 0.1197 0.3605 0.039 Uiso 1 1 d R . .
O11 O 0.1360(4) 0.2967(4) 0.3817(6) 0.0360(16) Uani 1 1 d . . .
H11A H 0.1158 0.3456 0.4190 0.054 Uiso 1 1 d R . .
H11B H 0.0891 0.2557 0.3716 0.054 Uiso 1 1 d R . .
O12 O 0.4263(4) 0.0877(4) 0.3941(6) 0.0420(17) Uani 1 1 d . . .
O13 O 0.0094(4) 0.2137(4) 0.2108(7) 0.0464(19) Uani 1 1 d . . .
O14 O 0.8695(9) 0.0000 0.0608(15) 0.095(5) Uani 1 2 d S . .
O15 O 0.2341(19) 0.0000 0.171(2) 0.077(8) Uani 0.50 2 d SP . .
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
Ru1 0.0138(5) 0.0136(5) 0.0129(5) 0.000 0.0002(4) 0.000
Ru2 0.0166(5) 0.0151(5) 0.0139(5) 0.000 0.0029(4) 0.000
Co1 0.0222(9) 0.0240(9) 0.0172(8) -0.0034(7) -0.0008(7) 0.0060(7)
Co2 0.0219(9) 0.0184(8) 0.0193(8) 0.0002(7) 0.0015(7) -0.0044(6)
Br3 0.0373(8) 0.0251(7) 0.0244(7) 0.000 -0.0079(6) 0.000
C1 0.015(4) 0.025(5) 0.019(4) 0.000(4) 0.003(3) 0.001(3)
C2 0.024(4) 0.016(4) 0.017(4) -0.008(3) -0.003(3) -0.001(3)
O1 0.020(3) 0.025(3) 0.017(3) -0.005(2) -0.005(2) 0.008(2)
O2 0.027(3) 0.027(3) 0.027(3) -0.013(3) -0.006(3) 0.012(3)
O3 0.019(3) 0.021(3) 0.018(3) -0.003(2) -0.002(2) 0.006(2)
O4 0.023(3) 0.025(3) 0.018(3) -0.001(2) 0.005(2) -0.011(2)
O5 0.028(3) 0.019(3) 0.025(3) -0.003(2) 0.005(3) -0.009(2)
O6 0.023(3) 0.022(3) 0.017(3) 0.000(2) 0.001(2) -0.008(2)
O7 0.035(5) 0.059(7) 0.024(5) 0.000 -0.005(4) 0.000
O8 0.041(4) 0.044(4) 0.036(4) 0.009(3) 0.007(3) 0.005(3)
O9 0.027(3) 0.029(3) 0.030(3) -0.009(3) -0.010(3) 0.013(3)
O10 0.027(3) 0.028(3) 0.022(3) 0.000(3) 0.003(3) -0.003(3)
O11 0.035(4) 0.024(3) 0.043(4) -0.002(3) -0.009(3) -0.003(3)
O12 0.041(4) 0.053(4) 0.031(4) 0.003(3) 0.006(3) 0.006(3)
O13 0.034(4) 0.041(4) 0.059(5) 0.019(4) -0.007(3) -0.007(3)
O14 0.074(9) 0.065(9) 0.132(14) 0.000 -0.021(9) 0.000
O15 0.10(2) 0.068(17) 0.071(18) 0.000 0.033(16) 0.000
_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 O1 2.022(5) 6_565 ?
Ru1 O1 2.022(5) . ?
Ru1 O3 2.033(5) 2 ?
Ru1 O3 2.033(5) 5_565 ?
Ru1 Ru1 2.2838(18) 5_565 ?
Ru1 Br3 2.7269(17) . ?
Ru2 O6 2.019(5) 5_556 ?
Ru2 O6 2.019(5) 2_556 ?
Ru2 O4 2.026(5) . ?
Ru2 O4 2.026(5) 6 ?
Ru2 Ru2 2.2599(18) 5_556 ?
Ru2 O7 2.359(9) . ?
Co1 O9 2.098(5) . ?
Co1 O9 2.098(5) 7 ?
Co1 O8 2.105(6) 7 ?
Co1 O8 2.105(6) . ?
Co1 O2 2.107(5) . ?
Co1 O2 2.107(5) 7 ?
Co2 O11 2.087(6) 7_556 ?
Co2 O11 2.087(6) . ?
Co2 O5 2.090(5) 7_556 ?
Co2 O5 2.090(5) . ?
Co2 O10 2.126(6) . ?
Co2 O10 2.126(6) 7_556 ?
C1 O2 1.263(9) . ?
C1 O1 1.285(9) . ?
C1 O3 1.304(9) . ?
C2 O5 1.267(9) . ?
C2 O4 1.298(9) . ?
C2 O6 1.301(10) . ?
O3 Ru1 2.033(5) 5_565 ?
O6 Ru2 2.019(5) 5_556 ?
O7 H7A 0.9600 . ?
O7 H7B 0.9600 . ?
O8 H8A 0.9600 . ?
O8 H8C 0.9600 . ?
O9 H9B 0.9600 . ?
O9 H9C 0.9600 . ?
O10 H10A 0.9600 . ?
O10 H10C 0.9600 . ?
O11 H11A 0.9600 . ?
O11 H11B 0.9600 . ?
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
O1 Ru1 O1 92.1(3) 6_565 . ?
O1 Ru1 O3 178.9(2) 6_565 2 ?
O1 Ru1 O3 87.4(2) . 2 ?
O1 Ru1 O3 87.4(2) 6_565 5_565 ?
O1 Ru1 O3 178.9(2) . 5_565 ?
O3 Ru1 O3 93.0(3) 2 5_565 ?
O1 Ru1 Ru1 89.21(15) 6_565 5_565 ?
O1 Ru1 Ru1 89.21(15) . 5_565 ?
O3 Ru1 Ru1 89.79(15) 2 5_565 ?
O3 Ru1 Ru1 89.79(15) 5_565 5_565 ?
O1 Ru1 Br3 88.46(15) 6_565 . ?
O1 Ru1 Br3 88.46(15) . . ?
O3 Ru1 Br3 92.52(15) 2 . ?
O3 Ru1 Br3 92.52(15) 5_565 . ?
Ru1 Ru1 Br3 176.64(7) 5_565 . ?
O6 Ru2 O6 92.2(3) 5_556 2_556 ?
O6 Ru2 O4 178.9(2) 5_556 . ?
O6 Ru2 O4 88.9(2) 2_556 . ?
O6 Ru2 O4 88.9(2) 5_556 6 ?
O6 Ru2 O4 178.9(2) 2_556 6 ?
O4 Ru2 O4 90.0(3) . 6 ?
O6 Ru2 Ru2 89.41(16) 5_556 5_556 ?
O6 Ru2 Ru2 89.41(16) 2_556 5_556 ?
O4 Ru2 Ru2 90.44(16) . 5_556 ?
O4 Ru2 Ru2 90.44(16) 6 5_556 ?
O6 Ru2 O7 88.1(2) 5_556 . ?
O6 Ru2 O7 88.1(2) 2_556 . ?
O4 Ru2 O7 92.1(2) . . ?
O4 Ru2 O7 92.1(2) 6 . ?
Ru2 Ru2 O7 176.5(2) 5_556 . ?
O9 Co1 O9 180.0(3) . 7 ?
O9 Co1 O8 90.3(3) . 7 ?
O9 Co1 O8 89.7(3) 7 7 ?
O9 Co1 O8 89.7(3) . . ?
O9 Co1 O8 90.3(3) 7 . ?
O8 Co1 O8 180.0(4) 7 . ?
O9 Co1 O2 86.5(2) . . ?
O9 Co1 O2 93.5(2) 7 . ?
O8 Co1 O2 85.5(2) 7 . ?
O8 Co1 O2 94.5(2) . . ?
O9 Co1 O2 93.5(2) . 7 ?
O9 Co1 O2 86.5(2) 7 7 ?
O8 Co1 O2 94.5(2) 7 7 ?
O8 Co1 O2 85.5(2) . 7 ?
O2 Co1 O2 180.0(4) . 7 ?
O11 Co2 O11 180.000(1) 7_556 . ?
O11 Co2 O5 93.1(2) 7_556 7_556 ?
O11 Co2 O5 86.9(2) . 7_556 ?
O11 Co2 O5 86.9(2) 7_556 . ?
O11 Co2 O5 93.1(2) . . ?
O5 Co2 O5 180.0(3) 7_556 . ?
O11 Co2 O10 89.8(2) 7_556 . ?
O11 Co2 O10 90.2(2) . . ?
O5 Co2 O10 87.2(2) 7_556 . ?
O5 Co2 O10 92.8(2) . . ?
O11 Co2 O10 90.2(2) 7_556 7_556 ?
O11 Co2 O10 89.8(2) . 7_556 ?
O5 Co2 O10 92.8(2) 7_556 7_556 ?
O5 Co2 O10 87.2(2) . 7_556 ?
O10 Co2 O10 180.0(2) . 7_556 ?
O2 C1 O1 120.6(7) . . ?
O2 C1 O3 118.8(7) . . ?
O1 C1 O3 120.5(7) . . ?
O5 C2 O4 120.7(8) . . ?
O5 C2 O6 118.9(7) . . ?
O4 C2 O6 120.4(7) . . ?
C1 O1 Ru1 120.8(5) . . ?
C1 O2 Co1 129.6(5) . . ?
C1 O3 Ru1 119.2(5) . 5_565 ?
C2 O4 Ru2 119.1(5) . . ?
C2 O5 Co2 129.6(5) . . ?
C2 O6 Ru2 120.4(5) . 5_556 ?
Ru2 O7 H7A 109.5 . . ?
Ru2 O7 H7B 109.4 . . ?
H7A O7 H7B 109.5 . . ?
Co1 O8 H8A 109.3 . . ?
Co1 O8 H8C 109.4 . . ?
H8A O8 H8C 109.5 . . ?
Co1 O9 H9B 109.3 . . ?
Co1 O9 H9C 109.3 . . ?
H9B O9 H9C 109.5 . . ?
Co2 O10 H10A 109.3 . . ?
Co2 O10 H10C 109.4 . . ?
H10A O10 H10C 109.5 . . ?
Co2 O11 H11A 109.3 . . ?
Co2 O11 H11B 109.3 . . ?
H11A O11 H11B 109.5 . . ?
_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.05
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         2.698
_refine_diff_density_min         -1.136
_refine_diff_density_rms         0.179