Poly[[μ-1,4-bis(imidazol-1-ylmethyl)benzene]bis(μ~4~-cyclohexane-1,4-dicarboxylato)dinickel(II)]
Li, Bing-Bing; Fang, Gai-Xia; Ji, Xiao-Na; Xiao, Bo; Tiekink, Edward R. T.; Acta Crystallographica Section E 65 (2009) m1012–; doi:10.1107/S1600536809029249

data_2222827
_publ_section_title
Poly[[\m-1,4-bis(imidazol-1-ylmethyl)benzene]bis(\m~4~-cyclohexane-1,4-dicarboxylato)dinickel(II)]
_journal_coeditor_code           NG2618
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1012
_journal_paper_doi               10.1107/S1600536809029249
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Ni2 (C8 H10 O4)2 (C14 H14 N4)]'
_chemical_formula_moiety         'C30 H34 N4 Ni2 O8'
_chemical_formula_sum            'C30 H34 N4 Ni2 O8'
_chemical_formula_weight         696.03
_chemical_name_systematic
;
Poly[[\m-1,4-bis(imidazol-1-ylmethyl)benzene]bis(\m~4~-cyclohexane-1,4-
dicarboxylato)dinickel(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                93.567(6)
_cell_angle_beta                 100.608(6)
_cell_angle_gamma                105.807(6)
_cell_formula_units_Z            1
_cell_length_a                   8.4966(6)
_cell_length_b                   8.8076(6)
_cell_length_c                   10.7327(8)
_cell_measurement_reflns_used    3051
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      3.0
_cell_volume                     754.22(10)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART 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  0.025
_diffrn_reflns_av_sigmaI/netI    0.031
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_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            6115
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         25.0
_diffrn_reflns_theta_min         4.3
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.305
_exptl_absorpt_correction_T_max  0.791
_exptl_absorpt_correction_T_min  0.557
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             362
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.30
_refine_diff_density_min         -1.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.11
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     224
_refine_ls_number_reflns         2640
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.10
_refine_ls_R_factor_all          0.060
_refine_ls_R_factor_gt           0.052
_refine_ls_shift/su_max_lt       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^)+(0.0653P)^2^+2.0659P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.136
_refine_ls_wR_factor_ref         0.139
_reflns_number_gt                2287
_reflns_number_total             2640
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ng2618.cif
_cod_data_source_block           I
_cod_original_cell_volume        754.22(9)
_cod_database_code               2222827
_cod_database_fobs_code          2222827