Chloro[<i>N</i>',<i>N</i>'-diethyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)ethylenediamine-κ^4^<i>N</i>]copper(II) perchlorate
Kani, Yoshiyuki; Ohba, Shigeru; Kunita, Mami; Nishida, Yuzo; Acta Crystallographica Section C 56 (2000) e198–e198; doi:10.1107/S010827010000559X

data_2010961
_publ_section_title
;Chloro[<i>N</i>',<i>N</i>'-diethyl-<i>N</i>,<i>N</i>-bis(2-pyridylmethyl)ethylenediamine-\k^4^<i>N</i>]copper(II)
 perchlorate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e198
_journal_page_last               e198
_journal_paper_doi               10.1107/S010827010000559X
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Cu Cl (C18 H26 N4)] Cl O4'
_chemical_formula_sum            'C18 H26 Cl2 Cu N4 O4'
_chemical_formula_weight         496.88
_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'
_cell_angle_alpha                90
_cell_angle_beta                 109.340(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.513(2)
_cell_length_b                   14.613(2)
_cell_length_c                   12.569(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     2168.6(6)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1993)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1999)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_diffrn_measured_fraction_theta_full .9996
_diffrn_measured_fraction_theta_max .9996
_diffrn_measurement_device_type  'Rigaku AFC-5S'
_diffrn_measurement_method       \q-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .025
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            5399
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.285
_exptl_absorpt_correction_T_max  .701
_exptl_absorpt_correction_T_min  .469
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.522
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate-like
_exptl_crystal_size_max          .65
_exptl_crystal_size_mid          .55
_exptl_crystal_size_min          .3
_refine_diff_density_max         .45
_refine_diff_density_min         -.43
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.51
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     262
_refine_ls_number_reflns         4971
_refine_ls_R_factor_gt           .064
_refine_ls_shift/su_max          .003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05(Fo^2^ + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .161
_reflns_number_gt                2593
_reflns_number_total             4971
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0280.cif
_cod_data_source_block           I
_cod_original_cell_volume        2168.60(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010961
_cod_database_fobs_code          2010961