<i>trans</i>-Bis[2-(piperazin-1-yl)ethanamine]bis(saccharinato)cobalt(II)
Yilmaz, Veysel T.; Guney, Serkan; Kazak, Canan; Acta Crystallographica Section E 64 (2008) m59–m60; doi:10.1107/S1600536807062745

data_2217324
_publ_section_title
;
 <i>trans</i>-Bis[2-(piperazin-1-yl)ethanamine]bis(saccharinato)cobalt(II)
;
_journal_coeditor_code           SQ2006
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m59
_journal_page_last               m60
_journal_paper_doi               10.1107/S1600536807062745
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Co (C7 H4 N O3 S)2 (C6 H15 N3)2]'
_chemical_formula_moiety         'C26 H38 Co N8 O6 S2'
_chemical_formula_sum            'C26 H38 Co N8 O6 S2'
_chemical_formula_weight         681.69
_chemical_name_systematic
;
<i>trans</i>-Bis[2-(piperazin-1-yl)ethanamine]bis(saccharinato)cobalt(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           SHELXL97
_cell_angle_alpha                93.651(8)
_cell_angle_beta                 110.473(6)
_cell_angle_gamma                116.486(13)
_cell_formula_units_Z            1
_cell_length_a                   8.4294(7)
_cell_length_b                   9.3742(10)
_cell_length_c                   11.5618(10)
_cell_measurement_reflns_used    16784
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.97
_cell_measurement_theta_min      1.95
_cell_volume                     739.31(17)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2002)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2002)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2002)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 6.67
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Stoe IPDS 2'
_diffrn_measurement_method       'rotation method'
_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  0.1030
_diffrn_reflns_av_sigmaI/netI    0.0622
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9652
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.95
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.778
_exptl_absorpt_correction_T_max  0.8646
_exptl_absorpt_correction_T_min  0.7205
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(X-RED; Stoe & Cie, 2002)'
_exptl_crystal_colour            'light brown'
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             357
_exptl_crystal_size_max          0.580
_exptl_crystal_size_mid          0.407
_exptl_crystal_size_min          0.250
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.636
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         2913
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.068
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0329
_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^)+(0.0416P)^2^+0.1493P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0939
_reflns_number_gt                2635
_reflns_number_total             2913
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq2006.cif
_cod_data_source_block           I
_cod_database_code               2217324
_cod_database_fobs_code          2217324