The coordination polymer poly[bis[μ~2~-2-(2,2'-bi-1<i>H</i>-imidazol-1-yl)acetato]cadmium]
Tao, Jian-Qing; Wang, Jun; Xu, Xiao-Juan; Acta Crystallographica Section C 67 (2011) m364–m366; doi:10.1107/S0108270111042570

data_2018304
_publ_section_title
;
 The coordination polymer
 poly[bis[\m~2~-2-(2,2'-bi-1<i>H</i>-imidazol-1-yl)acetato]cadmium]
;
_journal_coeditor_code           WQ3007
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m364
_journal_page_last               m366
_journal_paper_doi               10.1107/S0108270111042570
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Cd (C16 H14 N8 O4)]'
_chemical_formula_moiety         'C16 H14 Cd N8 O4'
_chemical_formula_sum            'C16 H14 Cd N8 O4'
_chemical_formula_weight         494.76
_chemical_name_systematic
;
poly[[\m~2~-2-(2,2'-bi-1<i>H</i>-imidazoly-1-yl)acetato]cadmium]
;
_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                73.150(3)
_cell_angle_beta                 78.568(3)
_cell_angle_gamma                83.055(3)
_cell_formula_units_Z            2
_cell_length_a                   8.1262(14)
_cell_length_b                   10.5663(19)
_cell_length_c                   10.8076(19)
_cell_measurement_temperature    273(2)
_cell_volume                     868.5(3)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_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  0.0410
_diffrn_reflns_av_sigmaI/netI    0.0572
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            4352
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    1.303
_exptl_absorpt_correction_T_max  0.822
_exptl_absorpt_correction_T_min  0.781
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.892
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             492
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.541
_refine_diff_density_min         -0.393
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.968
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     262
_refine_ls_number_reflns         3013
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.968
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0315
_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^)+(0.0235P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                2637
_reflns_number_total             3072
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wq3007.cif
_cod_data_source_block           I
_cod_database_code               2018304
_cod_database_fobs_code          2018304