<i>catena</i>-Poly[cobalt(II)-bis(μ-2-aminoethanesulfonato)-κ^3^<i>N</i>,<i>O</i>:<i>O</i>';κ^3^<i>O</i>:<i>N</i>,<i>O</i>']
Yang, Feng; Liu, Xu-Hui; Zhao, Cheng-Qiang; Acta Crystallographica Section E 66 (2010) m1343–m1344; doi:10.1107/S1600536810038481

data_2228182
_publ_section_title
;
 <i>catena</i>-Poly[cobalt(II)-bis(\m-2-aminoethanesulfonato)-\k^3^<i>N</i>,<i>O</i>:<i>O</i>';\k^3^<i>O</i>:<i>N</i>,<i>O</i>']
;
_journal_coeditor_code           ZQ2061
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1343
_journal_page_last               m1344
_journal_paper_doi               10.1107/S1600536810038481
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co (C2 H6 N O3 S)2]'
_chemical_formula_moiety         'C4 H12 Co N2 O6 S2'
_chemical_formula_sum            'C4 H12 Co N2 O6 S2'
_chemical_formula_weight         307.21
_chemical_name_systematic
;
<i>catena</i>-Poly[cobalt(II)-bis(\m-2-aminoethanesulfonato)-
\k^3^<i>N</i>,<i>O</i>:<i>O</i>';\k^3^<i>O</i>:<i>N</i>,<i>O</i>']
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 97.542(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   5.139(2)
_cell_length_b                   8.278(4)
_cell_length_c                   11.737(5)
_cell_measurement_reflns_used    717
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.61
_cell_measurement_theta_min      2.46
_cell_volume                     495.0(4)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0318
_diffrn_reflns_av_sigmaI/netI    0.0241
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2173
_diffrn_reflns_theta_full        25.99
_diffrn_reflns_theta_max         25.99
_diffrn_reflns_theta_min         3.02
_exptl_absorpt_coefficient_mu    2.166
_exptl_absorpt_correction_T_max  0.805
_exptl_absorpt_correction_T_min  0.527
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 1999)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.061
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             314
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.607
_refine_diff_density_min         -0.741
_refine_ls_extinction_coef       0.060(5)
_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   1.112
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     77
_refine_ls_number_reflns         974
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0307
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0517P)^2^+0.2690P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0819
_refine_ls_wR_factor_ref         0.0826
_reflns_number_gt                931
_reflns_number_total             974
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zq2061.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2228182
_cod_database_fobs_code          2228182