Bis[diaquabis(2,2-bipyridine <i>N</i>,<i>N</i>'-dioxide-<i>{κ</i>}^2^<i>O</i>,<i>O</i>')cobalt(II)] {ξi}-octamolybdate dihydrate
Tan Su; Ya-Qian Lan; Acta Crystallographica Section C 63 (2007) m522–m524; doi:10.1107/S0108270107018914

data_2016227
_publ_section_title
;
 Bis[diaquabis(2,2-bipyridine
 <i>N</i>,<i>N</i>'-dioxide-<i>{\k</i>}^2^<i>O</i>,<i>O</i>')cobalt(II)]
 {\xi}-octamolybdate dihydrate
;
_journal_coeditor_code           BG3034
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m522
_journal_page_last               m524
_journal_paper_doi               10.1107/S0108270107018914
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Co (C10 H8 N2 O2)2 (H2 O1)2]2 [Mo8 O26], 2H2 O'
_chemical_formula_moiety         '2C20 H20 Co N4 O6 2+, (Mo8 O26 4-), 2H2 O'
_chemical_formula_sum            'C40 H44 Co2 Mo8 N8 O40'
_chemical_formula_weight         2162.22
_chemical_name_systematic
;
Bis[diaquabis(2,2-bipyridine N,N'-dioxide-<i>\k</i>^2^O,O')cobalt(II)]
\x-octamolybdate dihydrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 110.392(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.603(3)
_cell_length_b                   18.014(3)
_cell_length_c                   14.658(4)
_cell_measurement_reflns_used    18203
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.61
_cell_measurement_theta_min      1.84
_cell_volume                     3119.3(12)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-Plus (Sheldrick, 1990)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.918
_diffrn_measurement_device_type  'Bruker APEX CCD 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     0.71069
_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_sigmaI/netI    0.0401
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            18887
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.61
_diffrn_reflns_theta_min         1.84
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.178
_exptl_absorpt_correction_T_max  0.661
_exptl_absorpt_correction_T_min  0.466
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    2.302
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2100
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.451
_refine_diff_density_min         -0.607
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     460
_refine_ls_number_reflns         7333
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0389
_refine_ls_R_factor_gt           0.0275
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0257P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0578
_refine_ls_wR_factor_ref         0.0619
_reflns_number_gt                5992
_reflns_number_total             7333
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg3034.cif
_cod_data_source_block           I
_cod_original_cell_volume        3119.3(11)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2016227
_cod_database_fobs_code          2016227