Poly[[μ-aqua-bis(μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')bis(μ-3-hydroxyadamantane-1-carboxylato-κ^2^<i>O</i>:<i>O</i>')bis(3-hydroxyadamantane-1-carboxylato-κ<i>O</i>)dicobalt(II)] heptahydrate]
Shen, Jin-Bei; Wu, Xiao-Yong; Chen, Xiao-Ju; Zhao, Guo-Liang; Acta Crystallographica Section E 67 (2011) m558–m559; doi:10.1107/S1600536811012475

data_2230103
_publ_section_title
;
 Poly[[\m-aqua-bis(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')bis(\m-3-hydroxyadamantane-1-carboxylato-\k^2^<i>O</i>:<i>O</i>')bis(3-hydroxyadamantane-1-carboxylato-\k<i>O</i>)dicobalt(II)]
 heptahydrate]
;
_journal_coeditor_code           OM2417
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m558
_journal_page_last               m559
_journal_paper_doi               10.1107/S1600536811012475
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Co (C11 H15 O3)4 (C10 H8 N2)2 (H2 O)], 7H2 O'
_chemical_formula_moiety         'C64 H78 Co2 N4 O13, 7(H2 O)'
_chemical_formula_sum            'C64 H92 Co2 N4 O20'
_chemical_formula_weight         1355.28
_chemical_name_systematic
;
Poly[[\m-aqua-bis(\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>')bis(\m-3-
hydroxyadamantane-1-carboxylato-\k^2^<i>O</i>:<i>O</i>')bis(3-
hydroxyadamantane-1-carboxylato-\k<i>O</i>)dicobalt(II)] heptahydrate]
;
_space_group_IT_number           7
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 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                 132.8060(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.0201(3)
_cell_length_b                   20.7463(5)
_cell_length_c                   17.6353(3)
_cell_measurement_reflns_used    8372
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.01
_cell_measurement_theta_min      1.85
_cell_volume                     3226.46(14)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_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 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_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  0.0496
_diffrn_reflns_av_sigmaI/netI    0.0507
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            42213
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    0.591
_exptl_absorpt_correction_T_max  0.979
_exptl_absorpt_correction_T_min  0.909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1436
_exptl_crystal_size_max          0.199
_exptl_crystal_size_mid          0.134
_exptl_crystal_size_min          0.036
_refine_diff_density_max         0.334
_refine_diff_density_min         -0.342
_refine_ls_abs_structure_details 'Flack (1983), 5293 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.003(9)
_refine_ls_extinction_coef       0.0005(2)
_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   1.025
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     797
_refine_ls_number_reflns         11001
_refine_ls_number_restraints     27
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0426
_refine_ls_R_factor_gt           0.0345
_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^)+(0.0422P)^2^+0.0362P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0779
_refine_ls_wR_factor_ref         0.0825
_reflns_number_gt                9720
_reflns_number_total             11001
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            om2417.cif
_cod_data_source_block           I
_cod_original_cell_volume        3226.45(12)
_cod_original_sg_symbol_H-M      'P c'
_cod_database_code               2230103
_cod_database_fobs_code          2230103