[(<i>R</i>)-1,2-Diethoxycarbonylethyl]bis(dimethylglyoximato)(methyldiphenylphosphine)cobalt(III)
Yamada, T.; Sekine, A.; Uekusa, H.; Ohashi, Y.; Arai, Y.; Ohgo, Y.; Acta Crystallographica Section C 51 (1995) 828–831; doi:10.1107/S0108270194012564

data_2003414
_publ_section_title
'[(<i>R</i>)-1,2-Diethoxycarbonylethyl]bis(dimethylglyoximato)(methyldiphenylphosphine)cobalt(III)'
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              828
_journal_page_last               831
_journal_paper_doi               10.1107/S0108270194012564
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C29 H40 Co N4 O8 P'
_chemical_formula_structural     'C29 H40 Co N4 O8 P'
_chemical_formula_sum            'C29 H40 Co N4 O8 P'
_chemical_formula_weight         662.55
_chemical_name_systematic
;
[(R)-1,2-diethoxycarbonylethyl]
bis(dimethylglyoximato)(diphenylmethylphosphine)cobalt(III)
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_method           dece-dpmp-cobaloxime
_cell_angle_alpha                90.00
_cell_angle_beta                 113.890(13)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.593(3)
_cell_length_b                   15.915(2)
_cell_length_c                   11.427(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      12.5
_cell_volume                     1595.1(6)
_computing_cell_refinement       ' MSC/AFC Diffractometer Control Software'
_computing_data_collection
; MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1992a)
;
_computing_data_reduction        ' MSC/AFC Diffractometer Control Software'
_computing_molecular_graphics    TEXSAN
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      296(2)
_diffrn_measurement_device       'Rigaku AFC-7'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_av_sigmaI/netI    0.065
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            4009
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         2.33
_diffrn_standards_decay_%        1.7
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.645
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    1.380
_exptl_crystal_description       prism
_exptl_crystal_F_000             696
_exptl_crystal_size_max          0.55
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.30
_refine_diff_density_min         -0.33
_refine_ls_abs_structure_details '\c parameter = 0.01(2) (Flack, 1983)'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.028
_refine_ls_goodness_of_fit_obs   1.063
_refine_ls_hydrogen_treatment    'H atoms riding on associated atoms'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         3794
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.031
_refine_ls_restrained_S_obs      1.065
_refine_ls_R_factor_all          0.080
_refine_ls_R_factor_obs          0.044
_refine_ls_shift/esd_max         0.105
_refine_ls_shift/esd_mean        0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme
; calc w = 1/[\s^2^(F~o~^2^) + (0.0518P)^2^]
where P = (F~o~^2^ + 2F~c~^2^)/3
;
_refine_ls_wR_factor_all         0.111
_refine_ls_wR_factor_obs         0.098
_reflns_number_observed          2878
_reflns_number_total             3794
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            as1134.cif
_cod_data_source_block           I
_cod_original_cell_volume        1595.1(5)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2003414