Bis(μ-diphenylphosphanyl)bis[(trimethylphosphane)cobalt(I)](<i>Co</i>—<i>Co</i>)
Beck, Robert; Klein, Hans-Friedrich; Acta Crystallographica Section E 69 (2013) m604–; doi:10.1107/S1600536813027384

data_2238811
_publ_section_title
;
 Bis(\m-diphenylphosphanyl)bis[(trimethylphosphane)cobalt(I)](<i>Co</i>---<i>Co</i>)
;
_journal_coeditor_code           WM2765
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m604
_journal_paper_doi               10.1107/S1600536813027384
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Co2 (C12 H10 P1)2 (C3 H9 P)4]'
_chemical_formula_moiety         'C36 H56 Co2 P6'
_chemical_formula_sum            'C36 H56 Co2 P6'
_chemical_formula_weight         792.49
_chemical_name_systematic
Bis(\m-diphenylphosphanyl)bis[(trimethylphosphane)cobalt(I)](<i>Co</i>---<i>Co</i>)
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method
;
  Olex2 1.2
  (compiled Dec  5 2012 16:20:19, GUI svn.r4385)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 113.32(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.318(2)
_cell_length_b                   19.262(4)
_cell_length_c                   10.721(2)
_cell_measurement_reflns_used    864
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      25.98
_cell_measurement_theta_min      2.96
_cell_volume                     1956.7(8)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'OLEX2 (Dolomanov <i>et al.</i>, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0617
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            37952
_diffrn_reflns_theta_full        29.47
_diffrn_reflns_theta_max         29.47
_diffrn_reflns_theta_min         2.11
_exptl_absorpt_coefficient_mu    1.117
_exptl_absorpt_correction_T_max  0.9401
_exptl_absorpt_correction_T_min  0.9120
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Sheldrick, 2003)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    none
_exptl_crystal_description       block
_exptl_crystal_F_000             832
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_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
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_refine_diff_density_min         -0.860
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.813
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_refine_ls_number_reflns         5413
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.813
_refine_ls_R_factor_all          0.0685
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0484P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0768
_refine_ls_wR_factor_ref         0.0830
_reflns_number_gt                3251
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_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2765.cif
_cod_data_source_block           I
_cod_original_cell_volume        1956.8(7)
_cod_database_code               2238811