Poly[[diaqua-bis-(μ2-4,4'-bipyrid-yl)cobalt(II)] dinitrate tetra-hydrate].
Lehleh, Asma; Boutebdja, Mehdi; Beghidja, Adel; Beghidja, Chahrazed; Merazig, Hocine; Acta crystallographica. Section E, Structure reports online 69 (2013) m177–8; doi:10.1107/S1600536813005230

data_2311136
_publ_section_title
;
 Poly[[diaqua-bis-(\m2-4,4'-bipyrid-yl)cobalt(II)] dinitrate
 tetra-hydrate].
;
_journal_coeditor_code           HB7035
_journal_issue                   'Pt 4'
_journal_name_full
'Acta crystallographica. Section E, Structure reports online'
_journal_page_first              m177
_journal_page_last               8
_journal_paper_doi               10.1107/S1600536813005230
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Co (C10 H8 N2)2 (H2 O)2] (N O3)2, 4H2 O'
_chemical_formula_moiety         'C20 H20 Co N4 O2 2+, 2(N O3 -), 4(H2 O)'
_chemical_formula_sum            'C20 H28 Co N6 O12'
_chemical_formula_weight         603.41
_chemical_name_systematic
;
Poly[[diaquabis(\m~2~-4,4'-bipyridyl)cobalt(II)] dinitrate tetrahydrate]
;
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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
_cell_angle_beta                 95.625(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   18.6093(19)
_cell_length_b                   11.5447(13)
_cell_length_c                   12.1216(13)
_cell_measurement_temperature    296(2)
_cell_volume                     2591.6(5)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'APEX2 (Bruker, 2006)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'ATOMS (Dowty, 1995)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_detector_area_resol_mean 18.4
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0155
_diffrn_reflns_av_sigmaI/netI    0.0126
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            18421
_diffrn_reflns_reduction_process
;
;
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         3.74
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.735
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.546
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.408
_refine_diff_density_min         -0.491
_refine_ls_extinction_coef       0.0058(4)
_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   1.053
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         3942
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0327
_refine_ls_R_factor_gt           0.0297
_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^)+(0.0411P)^2^+2.4609P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0802
_refine_ls_wR_factor_ref         0.0828
_reflns_number_gt                3660
_reflns_number_total             3942
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb7035sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        2591.7(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2311136