Bis[4-amino-<i>N</i>-(pyrimidin-2-yl-κ<i>N</i>)benzenesulfonamidato-κ<i>N</i>](4,4'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cadmium dimethylformamide disolvate
Hossain, G. M. Golzar; Amoroso, A. J.; Acta Crystallographica Section E 68 (2012) m276–m277; doi:10.1107/S1600536812004412

data_2233974
_publ_section_title
;
 Bis[4-amino-<i>N</i>-(pyrimidin-2-yl-\k<i>N</i>)benzenesulfonamidato-\k<i>N</i>](4,4'-dimethyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cadmium
 dimethylformamide disolvate
;
_journal_coeditor_code           RN2090
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m276
_journal_page_last               m277
_journal_paper_doi               10.1107/S1600536812004412
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Cd (C10 H9 N4 O2 S)2 (C12 H12 N2)], 2C3 H7 N O'
_chemical_formula_moiety         'C32 H30 Cd N10 O4 S2, 2(C3 H7 N O)'
_chemical_formula_sum            'C38 H44 Cd N12 O6 S2'
_chemical_formula_weight         941.37
_chemical_name_systematic
;
Bis[4-amino-<i>N</i>-(pyrimidin-2-yl-\k<i>N</i>)benzenesulfonamidato-
\k<i>N</i>](4,4'-dimethyl-2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cadmium
dimethylformamide monosolvate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 118.3334(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.4428(4)
_cell_length_b                   16.2753(4)
_cell_length_c                   16.3873(4)
_cell_measurement_reflns_used    4685
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.91
_cell_volume                     4094.82(18)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_collection
'DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       '\w 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  0.0704
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            18995
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.43
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.697
_exptl_absorpt_correction_T_max  0.8848
_exptl_absorpt_correction_T_min  0.8731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            White
_exptl_crystal_density_diffrn    1.527
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.554
_refine_diff_density_min         -0.587
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         4685
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0516
_refine_ls_R_factor_gt           0.0381
_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^+6.0396P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0868
_refine_ls_wR_factor_ref         0.0930
_reflns_number_gt                3855
_reflns_number_total             4685
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            rn2090.cif
_cod_data_source_block           I
_cod_original_cell_volume        4094.81(17)
_cod_original_sg_symbol_H-M      ' C 2/c'
_cod_database_code               2233974
_cod_database_fobs_code          2233974