<i>catena</i>-Poly[[cobalt(II)-μ-aqua-di-μ-butanoato-κ^2^<i>O</i>:<i>O</i>';κ^2^<i>O</i>:<i>O</i>] 0.7-hydrate]
Fischer, A. I.; Gurzhiy, V. V.; Belyaev, A. N.; Acta Crystallographica Section E 67 (2011) m807–m808; doi:10.1107/S1600536811019271

data_2230541
_publ_section_title
;
 <i>catena</i>-Poly[[cobalt(II)-\m-aqua-di-\m-butanoato-\k^2^<i>O</i>:<i>O</i>';\k^2^<i>O</i>:<i>O</i>]
 0.7-hydrate]
;
_journal_coeditor_code           YA2137
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m807
_journal_page_last               m808
_journal_paper_doi               10.1107/S1600536811019271
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Co (C4 H7 O2)2 (H2 O)], 0.7H2 O'
_chemical_formula_moiety         'C8 H16 Co O5, 0.7(H2 O)'
_chemical_formula_sum            'C8 H17.4 Co O5.7'
_chemical_formula_weight         263.75
_chemical_name_common            'cobalt(II) butyrate 1.7-hydrate'
_chemical_name_systematic
;
<i>catena</i>-Poly[[cobalt(II)-\m-aqua-di-\m-butanoato-
\k^2^<i>O</i>:<i>O</i>';\k^2^<i>O</i>:<i>O</i>] 0.7-hydrate]
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 104.900(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   14.8377(13)
_cell_length_b                   6.2597(7)
_cell_length_c                   25.743(3)
_cell_measurement_reflns_used    1731
_cell_measurement_temperature    210(2)
_cell_measurement_theta_max      23.0
_cell_measurement_theta_min      2.7
_cell_volume                     2310.6(4)
_computing_cell_refinement       'SAINT (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'SAINT (Bruker, 2009)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2008)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      210(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \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  0.096
_diffrn_reflns_av_sigmaI/netI    0.082
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            12584
_diffrn_reflns_theta_full        27.7
_diffrn_reflns_theta_max         27.7
_diffrn_reflns_theta_min         1.6
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.489
_exptl_absorpt_correction_T_max  0.351
_exptl_absorpt_correction_T_min  0.301
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.62
_refine_diff_density_min         -0.58
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.82
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     156
_refine_ls_number_reflns         2731
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.82
_refine_ls_R_factor_all          0.076
_refine_ls_R_factor_gt           0.042
_refine_ls_shift/su_max_lt       0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0493P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.087
_refine_ls_wR_factor_ref         0.096
_reflns_number_gt                1752
_reflns_number_total             2731
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya2137.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C8 H17.40 Co O5.70'
_cod_database_code               2230541
_cod_database_fobs_code          2230541