A trinuclear cobalt‒cerium complex: bis(2,2'-bipyridine)-1κ^2^<i>N</i>,<i>N</i>';3κ^2^<i>N</i>,<i>N</i>'-hexa-μ-methacrylato-1:2κ^6^<i>O</i>:<i>O</i>';2:3κ^6^<i>O</i>:<i>O</i>'-nitrato-2κ^2^<i>O</i>,<i>O</i>'-2-cerium(III)-1,3-dicobalt(II)
Wu, Bin; Hou, Tingting; Acta Crystallographica Section E 66 (2010) m457–; doi:10.1107/S1600536810010299

data_2225488
_publ_section_title
;
 A trinuclear cobalt--cerium complex:
 bis(2,2'-bipyridine)-1\k^2^<i>N</i>,<i>N</i>';3\k^2^<i>N</i>,<i>N</i>'-hexa-\m-methacrylato-1:2\k^6^<i>O</i>:<i>O</i>';2:3\k^6^<i>O</i>:<i>O</i>'-nitrato-2\k^2^<i>O</i>,<i>O</i>'-2-cerium(III)-1,3-dicobalt(II)
;
_journal_coeditor_code           CV2700
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m457
_journal_paper_doi               10.1107/S1600536810010299
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Ce Co2 (C4 H5 O2)6 (N O3) (C10 H8 N2)2]'
_chemical_formula_moiety         'C44 H46 Ce Co2 N5 O15'
_chemical_formula_sum            'C44 H46 Ce Co2 N5 O15'
_chemical_formula_weight         1142.84
_chemical_name_systematic
;
bis(2,2'-bipyridine)-1\k^2^<i>N</i>,<i>N</i>';3\k^2^<i>N</i>,<i>N</i>'-
hexa-\m-methacrylato-1:2\k^6^<i>O</i>:<i>O</i>';2:3\k^6^<i>O</i>:<i>O</i>'-
nitrato-2\k^2^<i>O</i>,<i>O</i>'-2-cerium(III)-1,3-dicobalt(II)
;
_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                104.108(9)
_cell_angle_beta                 99.937(8)
_cell_angle_gamma                100.115(7)
_cell_formula_units_Z            2
_cell_length_a                   11.4445(8)
_cell_length_b                   13.6484(9)
_cell_length_c                   16.5051(10)
_cell_measurement_reflns_used    7585
_cell_measurement_temperature    292(2)
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      2.32
_cell_volume                     2398.0(3)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.950
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_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  0.0196
_diffrn_reflns_av_sigmaI/netI    0.0210
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            17512
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    1.688
_exptl_absorpt_correction_T_max  0.623
_exptl_absorpt_correction_T_min  0.559
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.583
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1154
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.28
_refine_diff_density_max         0.267
_refine_diff_density_min         -0.359
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     610
_refine_ls_number_reflns         8121
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.0312
_refine_ls_R_factor_gt           0.0230
_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^)+(0.0302P)^2^+0.5473P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0517
_refine_ls_wR_factor_ref         0.0540
_reflns_number_gt                7037
_reflns_number_total             8121
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            cv2700.cif
_cod_data_source_block           I
_cod_database_code               2225488
_cod_database_fobs_code          2225488