Bis[μ-<i>N</i>-(<i>tert</i>-butyldimethylsilyl)-<i>N</i>-(pyridin-2-ylmethyl)amido]bis[methylcobalt(II)]
Malassa, Astrid; Agthe, Christine; Görls, Helmar; Westerhausen, Matthias; Acta Crystallographica Section E 68 (2012) m1167–m1168; doi:10.1107/S1600536812032321

data_2236363
_publ_section_title
;
 Bis[\m-<i>N</i>-(<i>tert</i>-butyldimethylsilyl)-<i>N</i>-(pyridin-2-ylmethyl)amido]bis[methylcobalt(II)]
;
_journal_coeditor_code           IM2393
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1167
_journal_page_last               m1168
_journal_paper_doi               10.1107/S1600536812032321
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Co2 (C H3)2 (C12 H21 N2 Si)2]'
_chemical_formula_moiety         'C26 H48 Co2 N4 Si2'
_chemical_formula_sum            'C26 H48 Co2 N4 Si2'
_chemical_formula_weight         590.72
_chemical_name_systematic
;
Bis[\m-<i>N</i>-(<i>tert</i>-butyldimethylsilyl)-<i>N</i>-(pyridin-2-
ylmethyl)amido]bis[methylcobalt(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                72.837(6)
_cell_angle_beta                 83.450(6)
_cell_angle_gamma                69.216(6)
_cell_formula_units_Z            1
_cell_length_a                   8.4751(8)
_cell_length_b                   9.8055(12)
_cell_length_c                   10.6130(6)
_cell_measurement_reflns_used    5417
_cell_measurement_temperature    183(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      3.25
_cell_volume                     787.81(14)
_computing_cell_refinement       'DENZO (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2008)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      183(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'phi- + omega-scan'
_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  0.0735
_diffrn_reflns_av_sigmaI/netI    0.2005
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5417
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.25
_exptl_absorpt_coefficient_mu    1.148
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.245
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             314
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.389
_refine_diff_density_min         -0.392
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.924
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     160
_refine_ls_number_reflns         3551
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.924
_refine_ls_R_factor_all          0.1821
_refine_ls_R_factor_gt           0.0612
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0369P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0973
_refine_ls_wR_factor_ref         0.1287
_reflns_number_gt                1685
_reflns_number_total             3551
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            im2393.cif
_cod_data_source_block           I
_cod_original_cell_volume        787.81(13)
_cod_database_code               2236363
_cod_database_fobs_code          2236363