Ethynyltetrakis(trimethylphosphine)cobalt(I), [Co(CCH){P(CH~3~)~3~}~4~]
Stringer, G.; Taylor, N. J.; Marder, T. B.; Acta Crystallographica Section C 52 (1996) 80–82; doi:10.1107/S0108270195010304

data_2004351
_publ_section_title
;
 Ethynyltetrakis(trimethylphosphine)cobalt(I),
 [Co(CCH){P(CH~3~)~3~}~4~]
;
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              80
_journal_page_last               82
_journal_paper_doi               10.1107/S0108270195010304
_journal_volume                  52
_journal_year                    1996
_chemical_formula_iupac          '[Co (C2 H1)(C3 H9 P1)4]'
_chemical_formula_moiety         'C14 H37 Co1 P4'
_chemical_formula_sum            'C14 H37 Co P4'
_chemical_formula_weight         388.2
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            8
_cell_length_a                   16.216(3)
_cell_length_b                   16.216(3)
_cell_length_c                   16.216(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    170
_cell_measurement_theta_max      16
_cell_measurement_theta_min      11
_cell_volume                     4264.1(14)
_computing_publication_material  'SHELXTL-Plus (Sheldrick, 1990)'
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       \w
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0302
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            4205
_diffrn_reflns_theta_max         50.0
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    1.089
_exptl_absorpt_correction_T_max  0.543
_exptl_absorpt_correction_T_min  0.485
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'empirical via \y scans'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_description       'truncated octahedron'
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.39
_refine_diff_density_max         0.46
_refine_diff_density_min         -0.31
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.41
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     108
_refine_ls_number_reflns         885
_refine_ls_R_factor_obs          0.0349
_refine_ls_shift/esd_max         0.015
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0002F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0331
_reflns_number_observed          885
_reflns_number_total             1258
_reflns_observed_criterion       F>=6\s(F)
_cod_data_source_file            bk1075.cif
_cod_data_source_block           bk1075a

_cod_original_cell_volume        4264.2(13)
_cod_original_formula_sum        'C14 H37 Co1 P4'
_cod_database_code               2004351