(Ethylenediamine-κ^2^<i>N</i>,<i>N</i>')bis(perchlorato-κ<i>O</i>)bis(pyridine-κ<i>N</i>)copper(II)
Ourari, Ali; Bounab, Nawel; Bouacida, Sofiane; Aggoun, Djouhra; Acta Crystallographica Section E 68 (2012) m1030–m1031; doi:10.1107/S1600536812029868

data_2236041
_publ_section_title
;
 (Ethylenediamine-\k^2^<i>N</i>,<i>N</i>')bis(perchlorato-\k<i>O</i>)bis(pyridine-\k<i>N</i>)copper(II)
;
_journal_coeditor_code           ZJ2084
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1030
_journal_page_last               m1031
_journal_paper_doi               10.1107/S1600536812029868
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Cu (Cl O4)2 (C2 H8 N2) (C5 H5 N)2]'
_chemical_formula_moiety         'C12 H18 Cl2 Cu N4 O8'
_chemical_formula_sum            'C12 H18 Cl2 Cu N4 O8'
_chemical_formula_weight         480.74
_chemical_name_systematic
;
(Ethylenediamine-\k^2^<i>N</i>,<i>N</i>')bis(perchlorato-
\k<i>O</i>)bis(pyridine-\k<i>N</i>)copper(II)
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_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
_cell_angle_beta                 100.5510(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.6970(10)
_cell_length_b                   17.238(2)
_cell_length_c                   14.2060(10)
_cell_measurement_reflns_used    2471
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.7
_cell_measurement_theta_min      0.998
_cell_volume                     1853.0(3)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2004)'
_computing_data_reduction
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics
;
ORTEP-3 for Windows (Farrugia, 1997) and DIAMOND (Brandenburg & Berndt,
2001)
;
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>, 2005)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4657
_diffrn_reflns_theta_full        28.71
_diffrn_reflns_theta_max         28.71
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    1.516
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.723
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             980
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.865
_refine_diff_density_min         -0.753
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     124
_refine_ls_number_reflns         2400
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0518
_refine_ls_R_factor_gt           0.0466
_refine_ls_shift/su_max          0
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0907P)^2^+1.2520P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1303
_refine_ls_wR_factor_ref         0.1364
_reflns_number_gt                2117
_reflns_number_total             2400
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zj2084.cif
_cod_data_source_block           I
_cod_database_code               2236041
_cod_database_fobs_code          2236041