Bis(4,4'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')cerium(IV)
Zhong, H.; Zeng, X.-R.; Yang, X.-M.; Luo, Q.-Y.; Acta Crystallographica Section E 63 (2007) m1592–m1593; doi:10.1107/S1600536807021502

data_2213830
_publ_section_title
Bis(4,4'-bipyridine-\k^2^<i>N</i>,<i>N</i>')tetrakis(nitrato-\k^2^<i>O</i>,<i>O</i>')cerium(IV)
_journal_coeditor_code           HK2243
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1592
_journal_page_last               m1593
_journal_paper_doi               10.1107/S1600536807021502
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ce (N O3)4 (C10 H8 N2)2]'
_chemical_formula_moiety         'C20 H16 Ce N8 O12'
_chemical_formula_sum            'C20 H16 Ce N8 O12'
_chemical_formula_weight         700.53
_chemical_name_systematic
;
Bis(4,4'-bipyridine-\k^2^N,N')tetrakis(nitrato-\k^2^O,O')cerium(IV)
;
_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                 116.004(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.106(2)
_cell_length_b                   7.8107(8)
_cell_length_c                   19.000(7)
_cell_measurement_reflns_used    8351
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      29.523
_cell_measurement_theta_min      2.542
_cell_volume                     2548.3(10)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.959
_diffrn_measured_fraction_theta_max 0.959
_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  0.0145
_diffrn_reflns_av_sigmaI/netI    0.0116
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            8401
_diffrn_reflns_theta_full        26.74
_diffrn_reflns_theta_max         26.74
_diffrn_reflns_theta_min         2.37
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.866
_exptl_absorpt_correction_T_max  0.6753
_exptl_absorpt_correction_T_min  0.4909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.826
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plane
_exptl_crystal_F_000             1384
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.417
_refine_diff_density_min         -0.543
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     186
_refine_ls_number_reflns         2593
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_R_factor_all          0.0241
_refine_ls_R_factor_gt           0.0236
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0526P)^2^+3.3178P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0734
_refine_ls_wR_factor_ref         0.0738
_reflns_number_gt                2537
_reflns_number_total             2593
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2243.cif
_cod_data_source_block           I
_cod_original_cell_volume        2548.4(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2213830
_cod_database_fobs_code          2213830