Crystal structure of bis(2,2'-bipyridine-N,N')carbonato-cobalt(III) hydrogencarbonate tetrahydrate, [Co(C~10~H~8~N~2~)~2~(CO~3~)][HCO~3~] · 5H~2~O
Guo, H.-M.; Zhang, B.-S.; Zeitschrift für Kristallographie - New Crystal Structures 221 (2006) 507–508; doi:

data_8102061
_publ_section_title
;
Crystal structure of bis(2,2'-bipyridine-N,N')carbonato-cobalt(III) 
hydrogencarbonate tetrahydrate, [Co(C~10~H~8~N~2~)~2~(CO~3~)][HCO~3~] 
&#x00B7; 5H~2~O
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              507
_journal_page_last               508
_journal_volume                  221
_journal_year                    2006
_chemical_formula_structural     '[Co(C10H8N2)2(CO3)][HCO3] &#x00B7; 5H2O'
_chemical_formula_sum            'C22 H27 Co N4 O11'
_chemical_formula_weight         582.41
_chemical_name_systematic
; 
 bis(2,2'-bipyridine-N,N')carbonatocobalt(III) hydrogencarbonate pentahydrate
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.861(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9420(7)
_cell_length_b                   16.0084(12)
_cell_length_c                   14.4584(12)
_cell_measurement_temperature    273(2)
_cell_volume                     2478.5(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.854
_diffrn_measured_fraction_theta_max 0.854
_diffrn_measurement_device_type  'Bruker APEX CCD II'
_diffrn_measurement_method       phi/omega
_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  0.0442
_diffrn_reflns_av_sigmaI/netI    0.1040
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10023
_diffrn_reflns_theta_full        30.55
_diffrn_reflns_theta_max         30.55
_diffrn_reflns_theta_min         2.88
_exptl_absorpt_coefficient_mu    0.761
_exptl_absorpt_correction_T_max  0.9354
_exptl_absorpt_correction_T_min  0.8462
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.383
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.049
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.766
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         3244
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      0.765
_refine_ls_R_factor_all          0.0814
_refine_ls_R_factor_gt           0.0384
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0460P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0908
_refine_ls_wR_factor_ref         0.0953
_reflns_number_gt                1524
_reflns_number_total             3244
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1267-1894.cff
_cod_data_source_block           shx97
_cod_original_sg_symbol_H-M      C12/c1
_cod_database_code               8102061