Mixed valence η6-arene cobalt(I) and cobalt(II) compound.
Azhakar, Ramachandran; Ghadwal, Rajendra S.; Roesky, Herbert W.; Hey, Jakob; Krause, Lennard; Stalke, Dietmar; Dalton transactions (Cambridge, England : 2003) 42 (2013) 10277–10281; doi:10.1039/c3dt50939g

data_7023177
_publ_section_title
;
 Mixed valence \h6-arene cobalt(I) and cobalt(II) compound.
;
_journal_issue                   28
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10277
_journal_page_last               10281
_journal_paper_doi               10.1039/c3dt50939g
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C44 H62 Cl5 Co2 N4 Si2'
_chemical_formula_weight         998.27
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.675(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4803(19)
_cell_length_b                   32.015(6)
_cell_length_c                   14.974(3)
_cell_measurement_reflns_used    9800
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      23.383
_cell_measurement_theta_min      2.208
_cell_volume                     4952.7(16)
_computing_cell_refinement       'Bruker APEX2 2011.2'
_computing_data_collection       'Bruker APEX2 2011.2'
_computing_data_reduction        'XPREP 2008/2'
_computing_molecular_graphics    'WinSHELX rev. 537'
_computing_publication_material  'WinSHELX rev. 537'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker D8 QUAZAR'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'INCOATEC ImS microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0862
_diffrn_reflns_av_sigmaI/netI    0.0583
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            297646
_diffrn_reflns_theta_full        24.76
_diffrn_reflns_theta_max         24.76
_diffrn_reflns_theta_min         1.27
_exptl_absorpt_coefficient_mu    1.022
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.943203
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TWINABS 2008/4'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2084
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.394
_refine_diff_density_min         -0.349
_refine_diff_density_rms         0.065
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.024
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     651
_refine_ls_number_reflns         9721
_refine_ls_number_restraints     489
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0347P)^2^+3.6847P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0824
_refine_ls_wR_factor_ref         0.0912
_reflns_number_gt                7317
_reflns_number_total             9721
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt50939g.txt
_cod_data_source_block           JH_Azhakar_Cobalt_TWIN
_cod_original_cell_volume        4952.6(16)
_cod_original_sg_symbol_H-M      'P 2(1)/n'
_cod_database_code               7023177