(μ-Oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis[bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')cobalt(II)] μ~6~-oxido-dodeca-μ~2~-oxido-hexaoxido-hexatungstate(VI)
Shi, Congwen; Fan, Liming; Wei, Peihai; Li, Bin; Zhang, Xiutang; Acta Crystallographica Section E 66 (2010) m822–m823; doi:10.1107/S1600536810023007

data_2226714
_publ_section_title
;
 (\m-Oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis[bis(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')cobalt(II)]
 \m~6~-oxido-dodeca-\m~2~-oxido-hexaoxido-hexatungstate(VI)
;
_journal_coeditor_code           WM2358
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m822
_journal_page_last               m823
_journal_paper_doi               10.1107/S1600536810023007
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Co2 (C2 O4) (C10 H8 N2)4] [W6 O19]'
_chemical_formula_moiety         'C42 H32 Co2 N8 O4 2+, O19 W6 2-'
_chemical_formula_sum            'C42 H32 Co2 N8 O23 W6'
_chemical_formula_weight         2237.72
_chemical_name_systematic
;
(\m-Oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)bis[bis(2,2'-
bipyridine-\k^2^<i>N</i>,<i>N</i>')cobalt(II)]
\m~6~-oxido-dodeca-\m~2~-oxido-hexaoxido-hexatungstate(VI)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.769(2)
_cell_angle_beta                 91.576(2)
_cell_angle_gamma                91.113(2)
_cell_formula_units_Z            1
_cell_length_a                   9.4876(15)
_cell_length_b                   9.8548(15)
_cell_length_c                   14.174(2)
_cell_measurement_reflns_used    3530
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.30
_cell_measurement_theta_min      2.50
_cell_volume                     1324.4(3)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \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  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0433
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9331
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    13.669
_exptl_absorpt_correction_T_max  0.4077
_exptl_absorpt_correction_T_min  0.2908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.806
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1022
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.412
_refine_diff_density_min         -1.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     368
_refine_ls_number_reflns         4613
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0430
_refine_ls_R_factor_gt           0.0309
_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^)+(0.0375P)^2^+1.9139P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0705
_refine_ls_wR_factor_ref         0.0755
_reflns_number_gt                3755
_reflns_number_total             4613
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2358.cif
_cod_data_source_block           I
_cod_original_cell_volume        1324.3(4)
_cod_database_code               2226714
_cod_database_fobs_code          2226714