<i>trans</i>-Bis(nitrato-κ<i>O</i>)tetrakis(1-vinyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)
Şen, Fatih; Şahin, Ramazan; Andaç, Ömer; Taş, Murat; Acta Crystallographica Section E 68 (2012) m1045–; doi:10.1107/S1600536812030607

data_2236011
_publ_section_title
;
 <i>trans</i>-Bis(nitrato-\k<i>O</i>)tetrakis(1-vinyl-1<i>H</i>-imidazole-\k<i>N</i>^3^)copper(II)
;
_journal_coeditor_code           WM2655
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1045
_journal_paper_doi               10.1107/S1600536812030607
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu (N O3)2 (C5 H6 N2)4]'
_chemical_formula_moiety         'C20 H24 Cu N10 O6'
_chemical_formula_sum            'C20 H24 Cu N10 O6'
_chemical_formula_weight         564.03
_chemical_name_systematic
;
<i>trans</i>-Bis(nitrato-\k<i>O</i>)tetrakis(1-vinyl-1<i>H</i>-imidazole-
\k<i>N</i>^3^)copper(II)
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 102.281(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.9415(4)
_cell_length_b                   8.7618(3)
_cell_length_c                   16.3172(6)
_cell_measurement_reflns_used    452
_cell_measurement_temperature    296
_cell_measurement_theta_max      30.396
_cell_measurement_theta_min      3.284
_cell_volume                     1249.10(9)
_computing_cell_refinement
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_data_collection
;
CrysAlis PRO (Oxford Diffraction, 2007)
;
_computing_data_reduction
;
CrysAlis RED (Oxford Diffraction, 2007)
;
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296
_diffrn_detector_area_resol_mean 16.0454
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction SuperNova'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0181
_diffrn_reflns_av_sigmaI/netI    0.0347
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            6658
_diffrn_reflns_theta_full        30.51
_diffrn_reflns_theta_max         30.51
_diffrn_reflns_theta_min         3.29
_exptl_absorpt_coefficient_mu    0.931
_exptl_absorpt_correction_T_max  0.911
_exptl_absorpt_correction_T_min  0.911
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Oxford Diffraction, 2007)
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             582
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.262
_refine_diff_density_min         -0.324
_refine_ls_extinction_coef       0.0069(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     198
_refine_ls_number_reflns         3820
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0567
_refine_ls_R_factor_gt           0.0406
_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^)+(0.0433P)^2^+0.3004P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0961
_refine_ls_wR_factor_ref         0.1087
_reflns_number_gt                2908
_reflns_number_total             3820
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            wm2655.cif
_cod_data_source_block           I
_cod_original_cell_volume        1249.10(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2236011
_cod_database_fobs_code          2236011