A two-dimensional cadmium(II) coordination polymer: poly[bis(nitrato-κ<i>O</i>)bis[μ-1-(4-pyridylmethyl)-1<i>H</i>-imidazole-κ^2^<i>N</i>:<i>N</i>']cadmium(II)]
Li, Yong-Fang; Lou, Tian-Jun; Acta Crystallographica Section E 63 (2007) m994–m996; doi:10.1107/S1600536807007593

data_2212767
_publ_section_title
;A two-dimensional cadmium(II) coordination polymer:
 poly[bis(nitrato-\k<i>O</i>)bis[\m-1-(4-pyridylmethyl)-1<i>H</i>-imidazole-\k^2^<i>N</i>:<i>N</i>']cadmium(II)]
;
_journal_coeditor_code           BH2071
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m994
_journal_page_last               m996
_journal_paper_doi               10.1107/S1600536807007593
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Cd (N O3)2 (C9 H9 N3)2]'
_chemical_formula_moiety         'C18 H18 Cd N8 O6'
_chemical_formula_sum            'C18 H18 Cd N8 O6'
_chemical_formula_weight         554.80
_chemical_name_systematic
;
poly[bis(nitrato-\kO)bis[\m-1-(4-pyridylmethyl)-1H-imidazole-
\k^2^N:N']cadmium(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.330(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.3567(17)
_cell_length_b                   16.327(3)
_cell_length_c                   9.0472(18)
_cell_measurement_reflns_used    2258
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.77
_cell_volume                     1124.8(4)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Sheldrick, 1997b)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997a)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997a)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  'Bruker SMART CCD 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  0.0118
_diffrn_reflns_av_sigmaI/netI    0.0175
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3912
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.77
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.022
_exptl_absorpt_correction_T_max  0.8527
_exptl_absorpt_correction_T_min  0.7490
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.638
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.030
_refine_diff_density_min         -0.657
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     164
_refine_ls_number_reflns         1960
_refine_ls_number_restraints     162
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0383
_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^)+(0.0606P)^2^+1.6575P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1071
_reflns_number_gt                1630
_reflns_number_total             1960
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2071.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n '
_cod_database_code               2212767
_cod_database_fobs_code          2212767