Bis[(η^5^-cyclopentadienyl)tris(diethyl phosphito)-κ^3^<i>P</i>,<i>P</i>',<i>P</i>''-cobaltate(III)-κ^3^<i>O</i>,<i>O</i>',<i>O</i>'']cobalt(II)
Weberski Jr, Michael P.; McLauchlan, Craig C.; Acta Crystallographica Section E 63 (2007) m1171–m1172; doi:10.1107/S1600536807013001

data_2212898
_publ_section_title
;Bis[(\h^5^-cyclopentadienyl)tris(diethyl
 phosphito)-\k^3^<i>P</i>,<i>P</i>',<i>P</i>''-cobaltate(III)-\k^3^<i>O</i>,<i>O</i>',<i>O</i>'']cobalt(II)
;
_journal_coeditor_code           HB2322
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1171
_journal_page_last               m1172
_journal_paper_doi               10.1107/S1600536807013001
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Co3 (C5 H5)2 (C4 H10 O3 P)6]'
_chemical_formula_moiety         'C34 H70 Co3 O18 P6'
_chemical_formula_sum            'C34 H70 Co3 O18 P6'
_chemical_formula_weight         1129.51
_chemical_melting_point          'decomp > 559'
_chemical_name_systematic
;
Bis[1,3(\h^5^)-cyclopentadienyl]hexakis(\m-diethyl
phosphito)-1:2\k^6^P:O;2:3\k^6^O:P-tricobalt(II)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                116.5290(10)
_cell_angle_beta                 91.9820(10)
_cell_angle_gamma                118.8020(10)
_cell_formula_units_Z            1
_cell_length_a                   11.6355(8)
_cell_length_b                   11.6433(8)
_cell_length_c                   12.1363(8)
_cell_measurement_reflns_used    6247
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.53
_cell_measurement_theta_min      2.47
_cell_volume                     1221.90(15)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT-Plus
_computing_molecular_graphics    'SHELXP97 (Sheldrick, 1997)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0117
_diffrn_reflns_av_sigmaI/netI    0.0163
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12593
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.98
_diffrn_standards_decay_%        <1
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.269
_exptl_absorpt_correction_T_max  0.617
_exptl_absorpt_correction_T_min  0.516
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS in SAINT-Plus; Bruker, 2003)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             589
_exptl_crystal_size_max          0.58
_exptl_crystal_size_mid          0.55
_exptl_crystal_size_min          0.38
_refine_diff_density_max         0.676
_refine_diff_density_min         -0.411
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         6038
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0255
_refine_ls_R_factor_gt           0.0240
_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^)+(0.0362P)^2^+0.5433P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0644
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                5710
_reflns_number_total             6038
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2322.cif
_cod_data_source_block           I
_cod_original_cell_volume        1221.90(14)
_cod_database_code               2212898
_cod_database_fobs_code          2212898