Bis[tricarbonyl(triisopropyl phosphite)cobalt](<i>Co</i>—<i>Co</i>) Dichloromethane Solvate
Farrar, D. H.; Lough, A. J.; Poë, A. J.; Stromnova, T. A.; Acta Crystallographica Section C 51 (1995) 2008–2010; doi:10.1107/S0108270195005014

data_2004000
_publ_section_title
;
 Bis[tricarbonyl(triisopropyl phosphite)cobalt](<i>Co</i>---<i>Co</i>)
 Dichloromethane Solvate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2008
_journal_page_last               2010
_journal_paper_doi               10.1107/S0108270195005014
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C24 H42 Co2 O12 P2, C H2 Cl2'
_chemical_formula_sum            'C25 H44 Cl2 Co2 O12 P2'
_chemical_formula_weight         787.34
_chemical_name_systematic
;
Bis[tricarbonyl(tri-isopropyl phosphite)cobalt] dichloromethane solvate
;
_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                 91.350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.9920(10)
_cell_length_b                   13.743(2)
_cell_length_c                   14.885(2)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      20.5
_cell_measurement_theta_min      5.0
_cell_volume                     2043.4(5)
_computing_cell_refinement       'CAD4 Software'
_computing_data_collection       'CAD4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'CAD4 Software'
_computing_molecular_graphics    SHELXTL/PC
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXTL/PC (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Enraf-Nonius CAD4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0475
_diffrn_reflns_av_sigmaI/netI    0.1167
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -012
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -018
_diffrn_reflns_number            4304
_diffrn_reflns_theta_max         26.28
_diffrn_reflns_theta_min         2.52
_diffrn_standards_decay_%        <2
_diffrn_standards_interval_time  120
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.067
_exptl_absorpt_correction_T_max  .5534
_exptl_absorpt_correction_T_min  .4100
_exptl_absorpt_correction_type
'semi-empirical, 7 azimuthal scans (Sheldrick, 1990)'
_exptl_crystal_colour            'dark brown'
_exptl_crystal_density_diffrn    1.280
_exptl_crystal_description       'flat plate'
_exptl_crystal_F_000             816
_exptl_crystal_size_max          .25
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .10
_refine_diff_density_max         .461
_refine_diff_density_min         -0.401
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.005
_refine_ls_goodness_of_fit_obs   1.093
_refine_ls_hydrogen_treatment
'H atoms refined as riding model (C---H 0.96\%A)'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     251
_refine_ls_number_reflns         4137
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.007
_refine_ls_restrained_S_obs      1.093
_refine_ls_R_factor_all          0.1494
_refine_ls_R_factor_obs          .0472
_refine_ls_shift/esd_max         .005
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
;
calc w = 1/[\s^2^(F~o~^2^) + (0.0541P)^2^ + 1.4036P]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         .1428
_refine_ls_wR_factor_obs         .1070
_reflns_number_observed          2091
_reflns_number_total             4138
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            fg1073.cif
_cod_data_source_block           structure
_cod_original_cell_volume        2043.4(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2004000