Low-Coordinate Cobalt(I) Complexes Stabilized by an Extremely Bulky Amide Ligand
Hicks, Jamie; Jones, Cameron; Organometallics 34 (2015) 2118–; doi:10.1021/om501233f

data_4085266
_publ_section_title
;
 Low-Coordinate Cobalt(I) Complexes Stabilized by an Extremely Bulky Amide
 Ligand
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2118
_journal_paper_doi               10.1021/om501233f
_journal_volume                  34
_journal_year                    2015
_chemical_formula_sum            'C112.5 H92.75 Co2 F1.75 N2 Si2'
_chemical_formula_weight         1679.93
_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                104.15(3)
_cell_angle_beta                 96.94(3)
_cell_angle_gamma                100.74(3)
_cell_formula_units_Z            2
_cell_length_a                   14.930(3)
_cell_length_b                   17.230(3)
_cell_length_c                   18.810(4)
_cell_measurement_temperature    100(2)
_cell_volume                     4538.9(18)
_computing_cell_refinement       'XDS (Kabsch, 1993)'
_computing_data_collection       'Blu-Ice (McPhillips, 2002)'
_computing_data_reduction        'XDS (Kabsch, 1993)'
_computing_molecular_graphics    X-Seed
_computing_publication_material  CifTAB
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'ADSC Quantum 210r'
_diffrn_radiation_source         'Australian Synchrotron'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.71090
_diffrn_reflns_av_R_equivalents  0.0754
_diffrn_reflns_av_sigmaI/netI    0.0612
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            65267
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    0.446
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.990
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   XDS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.229
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1759
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_refine_diff_density_max         1.746
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.102
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1085
_refine_ls_number_reflns         16803
_refine_ls_number_restraints     26
_refine_ls_restrained_S_all      1.098
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0627
_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^)+(0.0999P)^2^+7.9207P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1695
_refine_ls_wR_factor_ref         0.1858
_reflns_number_gt                12972
_reflns_number_total             16803
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om501233f_si_002.cif
_cod_data_source_block           compound6
_cod_depositor_comments
'Adding full bibliography for 4085265--4085269.cif.'
_cod_original_cell_volume        4539.0(16)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C112.50 H92.75 Co2 F1.75 N2 Si2'
_cod_database_code               4085266