<i>catena</i>-Poly[[cobalt(II)-μ-aqua-μ-propanoato-κ^2^<i>O</i>:<i>O</i>'-μ-propanoato-κ^2^<i>O</i>:<i>O</i>] monohydrate]
Fischer, A. I.; Gurzhiy, V. V.; Belyaev, A. N.; Acta Crystallographica Section E 66 (2010) m1498–; doi:10.1107/S1600536810043540

data_2227436
_publ_section_title
;
 <i>catena</i>-Poly[[cobalt(II)-\m-aqua-\m-propanoato-\k^2^<i>O</i>:<i>O</i>'-\m-propanoato-\k^2^<i>O</i>:<i>O</i>]
 monohydrate]
;
_journal_coeditor_code           FJ2358
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1498
_journal_paper_doi               10.1107/S1600536810043540
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co (C3 H5 O2)2 (H2 O)], H2 O'
_chemical_formula_moiety         'C6 H12 Co O5, H2 O'
_chemical_formula_sum            'C6 H14 Co O6'
_chemical_formula_weight         241.10
_chemical_name_common            'cobalt(II) propionate dihydrate'
_chemical_name_systematic
;
<i>catena</i>-Poly[[cobalt(II)-\m-aqua-\m-propanoato-\k^2^<i>O</i>:<i>O</i>'-
\m-propanoato-\k^2^<i>O</i>:<i>O</i>] monohydrate]
;
_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                 103.216(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   13.997(4)
_cell_length_b                   6.4987(18)
_cell_length_c                   21.440(6)
_cell_measurement_reflns_used    7703
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      35.88
_cell_measurement_theta_min      2.93
_cell_volume                     1898.6(9)
_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      170(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 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  0.0317
_diffrn_reflns_av_sigmaI/netI    0.0199
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            11986
_diffrn_reflns_theta_full        29.99
_diffrn_reflns_theta_max         29.99
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    1.805
_exptl_absorpt_correction_T_max  0.3315
_exptl_absorpt_correction_T_min  0.2757
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.687
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1000
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.410
_refine_diff_density_min         -0.572
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     130
_refine_ls_number_reflns         2762
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.135
_refine_ls_R_factor_all          0.0283
_refine_ls_R_factor_gt           0.0255
_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^)+(0.0329P)^2^+1.4667P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0663
_refine_ls_wR_factor_ref         0.0674
_reflns_number_gt                2542
_reflns_number_total             2762
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            fj2358.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2227436
_cod_database_fobs_code          2227436