(2,2'-Diamino-4,4'-bi-1,3-thiazole-κ^2^<i>N</i>,<i>N</i>')bis(glycinato-κ^2^<i>N</i>,<i>O</i>)cobalt(II) dihydrate
Jian-Yong Yu; Bing-Xin Liu; Duan-Jun Xu; Acta Crystallographica Section E 61 (2005) m2232–m2233; doi:10.1107/S1600536805031612

data_2207238
_publ_section_title
;(2,2'-Diamino-4,4'-bi-1,3-thiazole-\k^2^<i>N</i>,<i>N</i>')bis(glycinato-\k^2^<i>N</i>,<i>O</i>)cobalt(II)
 dihydrate
;
_journal_coeditor_code           HB6283
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2232
_journal_page_last               m2233
_journal_paper_doi               10.1107/S1600536805031612
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Co (C2 H4 N O2)2 (C6 H6 N2 S)], 2H2 O'
_chemical_formula_moiety         'C10 H14 Co N6 O4 S2, 2H2 O'
_chemical_formula_sum            'C10 H18 Co N6 O6 S2'
_chemical_formula_weight         441.35
_chemical_name_systematic
;(2,2'-Diamino-4,4'-bi-1,3-thiazole-\k^2^N,N')bis(glycinato-\k^2^N,O)cobalt(II)
dihydrate
;
_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                 92.590(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.1155(12)
_cell_length_b                   8.9953(11)
_cell_length_c                   14.0924(12)
_cell_measurement_reflns_used    8864
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      2.9
_cell_volume                     1660.9(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       'PROCESS-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      294(2)
_diffrn_detector_area_resol_mean 10
_diffrn_measured_fraction_theta_full 1.00
_diffrn_measured_fraction_theta_max 1.00
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_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  0.024
_diffrn_reflns_av_sigmaI/netI    0.017
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9452
_diffrn_reflns_theta_full        28.3
_diffrn_reflns_theta_max         28.3
_diffrn_reflns_theta_min         2.8
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.328
_exptl_absorpt_correction_T_max  0.820
_exptl_absorpt_correction_T_min  0.720
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.765
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             908
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.34
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.057
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     114
_refine_ls_number_reflns         2063
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.057
_refine_ls_R_factor_all          0.026
_refine_ls_R_factor_gt           0.024
_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^)+(0.0376P)^2^+1.092P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.065
_refine_ls_wR_factor_ref         0.066
_reflns_number_gt                1924
_reflns_number_total             2063
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb6283.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2207238
_cod_database_fobs_code          2207238