Tetrakis(<i>tert</i>-butyl isocyanide-2κ<i>C</i>)dichloro-1κ<i>Cl</i>,3κ<i>Cl</i>-di-μ-cyano-1κ<i>N</i>:2κ<i>C</i>;2κ<i>C</i>:3κ<i>N</i>-bis[1,3(η^4^)-cycloocta-1,5-diene]dirhodium(I)ruthenium(II)
Imhof, Wolfgang; Halbauer, Kathi; Görls, Helmar; Acta Crystallographica Section E 61 (2005) m2130–m2132; doi:10.1107/S1600536805030461

data_2207048
_publ_section_title
;Tetrakis(<i>tert</i>-butyl
 isocyanide-2\k<i>C</i>)dichloro-1\k<i>Cl</i>,3\k<i>Cl</i>-di-\m-cyano-1\k<i>N</i>:2\k<i>C</i>;2\k<i>C</i>:3\k<i>N</i>-bis[1,3(\h^4^)-cycloocta-1,5-diene]dirhodium(I)ruthenium(II)
;
_journal_coeditor_code           OM6262
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2130
_journal_page_last               m2132
_journal_paper_doi               10.1107/S1600536805030461
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Rh2 Ru (C N)2 Cl2 (C8 H12)2 (C5 H9 N)4]'
_chemical_formula_moiety         'C38 H60 Cl2 N6 Rh2 Ru'
_chemical_formula_structural     'Ru (C5 H9 N)4 (CN)2 Rh2 Cl2 (C8 H12)2'
_chemical_formula_sum            'C38 H60 Cl2 N6 Rh2 Ru'
_chemical_formula_weight         978.71
_chemical_name_systematic
;
Tetrakis(tert-butyl
isocyanide-2\kC)dichloro-1\kCl,3\kCl-di-\m-cyano-1:3\k^2^N:C;2:3\k^2^C:N-
bis[1,3(\h^4^)-cycloocta-1,5-diene)dirhodium(I)ruthenium(II)
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 118.189(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   21.7982(5)
_cell_length_b                   11.3347(4)
_cell_length_c                   21.4881(8)
_cell_measurement_reflns_used    4052
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.34
_cell_volume                     4679.5(3)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        DENZO
_computing_molecular_graphics    'XP (Siemens, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0407
_diffrn_reflns_av_sigmaI/netI    0.0440
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -28
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            16239
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.34
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.160
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.168
_refine_diff_density_min         -0.678
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         5332
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0598
_refine_ls_R_factor_gt           0.0387
_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/[\s^2^(Fo^2^)+(0.0599P)^2^+3.4513P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0969
_refine_ls_wR_factor_ref         0.1072
_reflns_number_gt                4052
_reflns_number_total             5332
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            om6262.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2207048