<i>catena</i>-Poly[[diaquacobalt(II)]-μ~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-κ^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]
Zhang, Fan; Lin, Qiu-Yue; Wang, Yong-Chang; He, Ji-Du; Acta Crystallographica Section E 68 (2012) m146–; doi:10.1107/S1600536812000554

data_2233664
_publ_section_title
;
 <i>catena</i>-Poly[[diaquacobalt(II)]-\m~2~-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylato-\k^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]
;
_journal_coeditor_code           WM2580
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m146
_journal_paper_doi               10.1107/S1600536812000554
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Co (C8 H8 O5) (H2 O)2]'
_chemical_formula_moiety         'C8 H12 Co O7'
_chemical_formula_sum            'C8 H12 Co O7'
_chemical_formula_weight         279.11
_chemical_name_systematic
;
<i>catena</i>-Poly[[diaquacobalt(II)]-\m~2~-7-oxabicyclo[2.2.1]heptane-2,3-
dicarboxylato-\k^4^<i>O</i>^2^,<i>O</i>^3^,<i>O</i>^7^:<i>O</i>^2'^]
;
_space_group_IT_number           45
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'I 2 -2c'
_symmetry_space_group_name_H-M   'I b a 2'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   10.3794(10)
_cell_length_b                   18.983(3)
_cell_length_c                   10.5021(12)
_cell_measurement_reflns_used    9954
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.15
_cell_volume                     2069.3(5)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_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  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0152
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13174
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.15
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.677
_exptl_absorpt_correction_T_max  .851
_exptl_absorpt_correction_T_min  .742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2006)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.792
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          .22
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .10
_refine_diff_density_max         0.324
_refine_diff_density_min         -0.771
_refine_ls_abs_structure_details 'Flack (1983), 860 Friedel pairs'
_refine_ls_abs_structure_Flack   0.12(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     146
_refine_ls_number_reflns         1837
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          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^)+(0.0734P)^2^+1.6545P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0875
_reflns_number_gt                1821
_reflns_number_total             1837
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            wm2580.cif
_cod_data_source_block           I
_cod_database_code               2233664
_cod_database_fobs_code          2233664