Poly[[μ~2~-1,4-bis(imidazol-1-ylmethyl)benzene]bis(μ~4~-cyclohexane-1,4-dicarboxylato)dicobalt(II)]
Yu, Qun-Di; Sun, Da-Jun; Tiekink, Edward R. T.; Acta Crystallographica Section E 65 (2009) m1165–; doi:10.1107/S160053680903428X

data_2223290
_publ_section_title
Poly[[\m~2~-1,4-bis(imidazol-1-ylmethyl)benzene]bis(\m~4~-cyclohexane-1,4-dicarboxylato)dicobalt(II)]
_journal_coeditor_code           BT5034
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1165
_journal_paper_doi               10.1107/S160053680903428X
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Co2 (C8 H10 O4)2 (C14 H14 N4)]'
_chemical_formula_moiety         'C30 H34 Co2 N4 O8'
_chemical_formula_sum            'C30 H34 Co2 N4 O8'
_chemical_formula_weight         696.48
_chemical_name_systematic
;
Poly[[\m~2~-1,4-bis(imidazol-1-ylmethyl)benzene]bis(\m~4~-cyclohexane-1,4-
dicarboxylato)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                93.824(4)
_cell_angle_beta                 100.940(4)
_cell_angle_gamma                105.413(5)
_cell_formula_units_Z            1
_cell_length_a                   8.5415(6)
_cell_length_b                   8.8051(5)
_cell_length_c                   10.8007(5)
_cell_measurement_reflns_used    2663
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.99
_cell_measurement_theta_min      3.01
_cell_volume                     762.95(8)
_computing_cell_refinement       'SMART (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_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 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker APEX'
_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  0.0298
_diffrn_reflns_av_sigmaI/netI    0.0394
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            6296
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         4.31
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.144
_exptl_absorpt_correction_T_max  0.788
_exptl_absorpt_correction_T_min  0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.516
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             360
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.34
_refine_diff_density_min         -1.40
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.06
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     206
_refine_ls_number_reflns         2663
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.06
_refine_ls_R_factor_all          0.062
_refine_ls_R_factor_gt           0.052
_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^)+(0.0864P)^2^+1.1188P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.144
_refine_ls_wR_factor_ref         0.150
_reflns_number_gt                2212
_reflns_number_total             2663
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5034.cif
_cod_data_source_block           I
_cod_database_code               2223290
_cod_database_fobs_code          2223290