A novel one-dimensional Co^II^ coordination polymer: <i>catena</i>-poly[[hexaaquacobalt(II)] [[diaquabis(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] [[triaqua(sulfato-κ<i>O</i>)cobalt(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']]
Zhong, Kai-Long; Qian, Ming-Yi; Acta Crystallographica Section C 68 (2012) m265–m268; doi:10.1107/S0108270112034385

data_2018686
_publ_section_title
;
 A novel one-dimensional Co^II^ coordination polymer:
 <i>catena</i>-poly[[hexaaquacobalt(II)]
 [[diaquabis(sulfato-\k<i>O</i>)cobalt(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
 [[triaqua(sulfato-\k<i>O</i>)cobalt(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']]
;
_journal_coeditor_code           WQ3017
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m265
_journal_page_last               m268
_journal_paper_doi               10.1107/S0108270112034385
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac
'[Co (H2 O)6] [Co (S O4)2 (C10 H8 N2) (H2 O)2] [Co (S O4) (C10 H8 N2) (H2 O)3]'
_chemical_formula_moiety
'Co H12 O6 2+, C10 H14 Co N2 O7 S -, C10 H12 Co N2 O10 S2'
_chemical_formula_sum            'C20 H38 Co3 N4 O23 S3'
_chemical_formula_weight         975.51
_chemical_name_systematic
;
<i>catena</i>-poly[[hexaaquacobalt(II)]
[[diaquabis(sulfato-\k<i>O</i>)cobalt(II)]-\m-4,4'-bipyridine-
\k^2^<i>N</i>:<i>N</i>']
[[triaqua(sulfato-\k<i>O</i>)cobalt(II)]-\m-4,4'-bipyridine-
\k^2^<i>N</i>:<i>N</i>']]
;
_space_group_IT_number           1
_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           SHELXL-97
_cell_angle_alpha                72.21(3)
_cell_angle_beta                 73.57(3)
_cell_angle_gamma                83.50(3)
_cell_formula_units_Z            1
_cell_length_a                   7.2860(15)
_cell_length_b                   11.246(2)
_cell_length_c                   11.462(2)
_cell_measurement_reflns_used    7593
_cell_measurement_temperature    223.15
_cell_measurement_theta_max      27.460
_cell_measurement_theta_min      3.045
_cell_volume                     857.4(3)
_computing_cell_refinement       'CrystalClear (Rigaku, 2007)'
_computing_data_collection       'CrystalClear (Rigaku, 2007)'
_computing_data_reduction        'CrystalClear (Rigaku, 2007)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      223.15
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type
'Rigaku Graphite Monochromator <b>[MODEL?]</b>'
_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  0.0230
_diffrn_reflns_av_sigmaI/netI    0.0363
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            8553
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         3.05
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.715
_exptl_absorpt_correction_T_max  0.8338
_exptl_absorpt_correction_T_min  0.6014
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(REQAB; Jacobson, 1998)'
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    1.889
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             499
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.829
_refine_diff_density_min         -0.608
_refine_ls_abs_structure_details 'Flack (1983), 2531 Fridel pairs'
_refine_ls_abs_structure_Flack   0.402(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.239
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     479
_refine_ls_number_reflns         6430
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.239
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0261
_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^)+(0.0229P)^2^+0.8892P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0557
_refine_ls_wR_factor_ref         0.0798
_reflns_number_gt                5533
_reflns_number_total             6430
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wq3017.cif
_cod_data_source_block           I
_cod_database_code               2018686