<i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl-κ<i>N</i>)benzenesulfonamidato-κ<i>N</i>]bis(<i>N</i>,<i>N</i>-dimethylformamide-κ<i>O</i>)cobalt(II)
Guo, Jing Jing; Wang, Wei; Zhang, Yi Dong; Yang, Li; Zhang, Shu Hua; Acta Crystallographica Section E 68 (2012) m1398–m1399; doi:10.1107/S160053681204336X

data_2236707
_publ_section_title
;
 <i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl-\k<i>N</i>)benzenesulfonamidato-\k<i>N</i>]bis(<i>N</i>,<i>N</i>-dimethylformamide-\k<i>O</i>)cobalt(II)
;
_journal_coeditor_code           WM2693
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1398
_journal_page_last               m1399
_journal_paper_doi               10.1107/S160053681204336X
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Co (C10 H9 N4 O2 S)2(C3 H7 N O)2]'
_chemical_formula_moiety         'C26 H32 Co N10 O6 S2'
_chemical_formula_sum            'C26 H32 Co N10 O6 S2'
_chemical_formula_weight         703.67
_chemical_name_systematic
;
<i>trans</i>-Bis[4-amino-<i>N</i>-(pyrimidin-2-yl-
\k<i>N</i>)benzenesulfonamidato-\k<i>N</i>]bis(<i>N</i>,<i>N</i>-
dimethylformamide-\k<i>O</i>)cobalt(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 102.147(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.9008(6)
_cell_length_b                   11.2078(6)
_cell_length_c                   16.5565(9)
_cell_measurement_reflns_used    4388
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.706
_cell_measurement_theta_min      2.958
_cell_volume                     1614.67(17)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART CCD'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0282
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13220
_diffrn_reflns_theta_full        26.98
_diffrn_reflns_theta_max         26.98
_diffrn_reflns_theta_min         2.96
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.716
_exptl_absorpt_correction_T_max  0.869
_exptl_absorpt_correction_T_min  0.815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2001)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.447
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             730
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.333
_refine_diff_density_min         -0.351
_refine_ls_extinction_coef       0.00120(10)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   0.992
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     222
_refine_ls_number_reflns         3495
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0482
_refine_ls_R_factor_gt           0.0399
_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^)+(0.0311P)^2^+1.5416P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0901
_refine_ls_wR_factor_ref         0.0954
_reflns_number_gt                2989
_reflns_number_total             3495
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2693.cif
_cod_data_source_block           I
_cod_original_cell_volume        1614.67(16)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2236707
_cod_database_fobs_code          2236707