A novel triple-stranded cadmium(II) polymer chain: <i>catena</i>-poly[cadmium(II)-μ-1,2-bis(imidazol-1-yl)ethane-κ^2^<i>N</i>^3^:<i>N</i>^3'^-di-μ-1,5-dicyanamido-κ^4^<i>N</i>^1^:<i>N</i>^5^]
Zhang, Yong; Wang, Zhao-Hui; Zhang, Yu-Ping; Li, Bao-Long; Acta Crystallographica Section E 61 (2005) m2722–m2725; doi:10.1107/S1600536805038626

data_2207696
_publ_section_title
;A novel triple-stranded cadmium(II) polymer chain:
 <i>catena</i>-poly[cadmium(II)-\m-1,2-bis(imidazol-1-yl)ethane-\k^2^<i>N</i>^3^:<i>N</i>^3'^-di-\m-1,5-dicyanamido-\k^4^<i>N</i>^1^:<i>N</i>^5^]
;
_journal_coeditor_code           WW6418
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2722
_journal_page_last               m2725
_journal_paper_doi               10.1107/S1600536805038626
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Cd (C2 N3)2 (C8 H10 N4)]'
_chemical_formula_moiety         'C12 H10 Cd N10'
_chemical_formula_sum            'C12 H10 Cd N10'
_chemical_formula_weight         406.71
_chemical_name_systematic
;
catena-poly[cadmium(II)-\m-1,2-bis(imidazol-1-yl)ethane-\k^2^N^3^:N^3'^-
di-\m-1,5-dicyanamido-\k^4^N^1^:N^5^]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 100.162(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.770(3)
_cell_length_b                   8.4986(17)
_cell_length_c                   14.568(3)
_cell_measurement_reflns_used    3014
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      25.3491
_cell_measurement_theta_min      3.0957
_cell_volume                     1556.2(6)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku, 2000)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'SHELXTL (Bruker, 1998)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Rigaku Mercury CCD'
_diffrn_measurement_method       \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  0.0193
_diffrn_reflns_av_sigmaI/netI    0.0145
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            7367
_diffrn_reflns_theta_full        25.34
_diffrn_reflns_theta_max         25.34
_diffrn_reflns_theta_min         3.09
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.419
_exptl_absorpt_correction_T_max  0.8595
_exptl_absorpt_correction_T_min  0.6007
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.736
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.356
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     116
_refine_ls_number_reflns         1424
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0216
_refine_ls_R_factor_gt           0.0199
_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^)+(0.0312P)^2^+1.619P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0527
_refine_ls_wR_factor_ref         0.0541
_reflns_number_gt                1339
_reflns_number_total             1424
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ww6418.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2207696
_cod_database_fobs_code          2207696