<i>catena</i>-Poly[[dinitratocadmium(II)]bis[μ-bis(2-methyl-1<i>H</i>-imidazol-1-yl)methane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]]
Jin, Chuan-Ming; Chen, Cai-Yuan; Wang, Wei-Dong; Wu, Ling-Yan; Acta Crystallographica Section C 63 (2007) m454–m455; doi:10.1107/S0108270107043454

data_2016216
_publ_section_title
<i>catena</i>-Poly[[dinitratocadmium(II)]bis[\m-bis(2-methyl-1<i>H</i>-imidazol-1-yl)methane-\k^2^<i>N</i>^3^:<i>N</i>^3'^]]
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m454
_journal_page_last               m455
_journal_paper_doi               10.1107/S0108270107043454
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd (C9 H12 N4)2 (N O3)2]'
_chemical_formula_moiety         'C18 H24 Cd N10 O6'
_chemical_formula_sum            'C18 H24 Cd N10 O6'
_chemical_formula_weight         588.87
_chemical_name_systematic
;
Poly[[bis-\m-3, 3'-bis(2-methylimidazol-1-yl)methyl]dinitratocadmium(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                62.192(2)
_cell_angle_beta                 73.725(2)
_cell_angle_gamma                69.787(2)
_cell_formula_units_Z            1
_cell_length_a                   7.9252(9)
_cell_length_b                   9.2783(10)
_cell_length_c                   9.4118(10)
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.99
_cell_measurement_theta_min      2.47
_cell_volume                     568.51(11)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  'SHELXTL (Bruker, 2001)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0604
_diffrn_reflns_av_sigmaI/netI    0.0489
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5982
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.47
_exptl_absorpt_coefficient_mu    1.019
_exptl_absorpt_correction_T_max  0.78
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.720
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             298
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.768
_refine_diff_density_min         -0.437
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.069
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     162
_refine_ls_number_reflns         2229
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0313
_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^)+(0.03P)^2^+0.33P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0667
_refine_ls_wR_factor_ref         0.0680
_reflns_number_gt                2168
_reflns_number_total             2229
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            sf3054.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               2016216
_cod_database_fobs_code          2016216