Dicarbonyldi-μ-chloro-<i>cis,cis</i>-η^4^-1,5-cyclooctadienedirhodium(I)
Abou Rida, Maurice; Saikaili, Joseph; Smith, Anthony K.; Thozet, Alain; Acta Crystallographica Section C 57 (2001) 352–353; doi:10.1107/S0108270100020035

data_2011878
_publ_section_title
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 Dicarbonyldi-\m-chloro-<i>cis,cis</i>-\h^4^-1,5-cyclooctadienedirhodium(I)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              352
_journal_page_last               353
_journal_paper_doi               10.1107/S0108270100020035
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Rh2 Cl2 (CO)2 (C8 H12 )]'
_chemical_formula_moiety         'C10 H12 Cl2 O2 Rh2'
_chemical_formula_sum            'C10 H12 Cl2 O2 Rh2'
_chemical_formula_weight         440.92
_chemical_name_systematic
Di-\m-chloro-dicarbonyl-cis,cis-\h^4^-1,5-cyclooctadienedirhodium(I)
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 92.19(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.6500(12)
_cell_length_b                   12.261(3)
_cell_length_c                   16.058(3)
_cell_measurement_reflns_used    15389
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      30.02
_cell_measurement_theta_min      2.09
_cell_volume                     1308.3(5)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'Kappa CCD Software (Enraf-Nonius, 1997)'
_computing_data_reduction        DENZO
_computing_molecular_graphics    'PLATON (Spek, 1990)'
_computing_publication_material  'SHELXCIF-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .965
_diffrn_measured_fraction_theta_max .965
_diffrn_measurement_device_type  ' NONIUS KAPPA CCD'
_diffrn_measurement_method       'area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71069
_diffrn_reflns_av_R_equivalents  .0000
_diffrn_reflns_av_sigmaI/netI    .0665
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            15389
_diffrn_reflns_theta_full        30.02
_diffrn_reflns_theta_max         30.02
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    2.912
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.238
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             848
_exptl_crystal_size_max          .15
_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .1
_refine_diff_density_max         1.013
_refine_diff_density_min         -1.278
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         3699
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          .1182
_refine_ls_R_factor_gt           .0671
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1960
_reflns_number_gt                2261
_reflns_number_total             3699
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            gd1124.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2011878
_cod_database_fobs_code          2011878