<i>trans</i>-Bis(dicyanamido-<i>N</i>)-<i>trans</i>-bis(imidazole-<i>N</i>')copper(II)
Luo, Junhua; Hong, Maochun; Liang, Yucang; Cao, Rong; Acta Crystallographica Section E 57 (2001) m359–m360; doi:10.1107/S1600536801011710

data_2200553
_publ_section_title
<i>trans</i>-Bis(dicyanamido-<i>N</i>)-<i>trans</i>-bis(imidazole-<i>N</i>')copper(II)
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m359
_journal_page_last               m360
_journal_paper_doi               10.1107/S1600536801011710
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Cu (C2 N3)2 (C3 H4 N2)2]'
_chemical_formula_moiety         'C10 H8 Cu N10'
_chemical_formula_sum            'C10 H8 Cu N10'
_chemical_formula_weight         165.90
_chemical_name_systematic
;
trans-Bis(dicyanamido-N)-trans-bis(imidazole-N')copper(II)
[Cu({N(CN)~2~}~2~(C~3~H~4~N~2~)~2~]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 101.790(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.2024(11)
_cell_length_b                   7.5897(9)
_cell_length_c                   9.7251(11)
_cell_measurement_reflns_used    97
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.05
_cell_measurement_theta_min      2.26
_cell_volume                     664.90(13)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Siemens, 1994)'
_computing_data_reduction        SMART
_computing_molecular_graphics    SHELXL97
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .997
_diffrn_measured_fraction_theta_max .997
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0532
_diffrn_reflns_av_sigmaI/netI    .0680
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3295
_diffrn_reflns_theta_full        25.05
_diffrn_reflns_theta_max         25.05
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.653
_exptl_absorpt_correction_T_max  .549
_exptl_absorpt_correction_T_min  .502
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.657
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             334
_exptl_crystal_size_max          .28
_exptl_crystal_size_mid          .21
_exptl_crystal_size_min          .18
_refine_diff_density_max         .534
_refine_diff_density_min         -.496
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     97
_refine_ls_number_reflns         1173
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          .0882
_refine_ls_R_factor_gt           .0528
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0553P)^2^+1.5680P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .1332
_reflns_number_gt                817
_reflns_number_total             1173
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wn6032.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2200553
_cod_database_fobs_code          2200553