[1,6-Bis(2-pyridylmethyl)-2,5-diazahexane-κ^4^<i>N</i>]chlorocopper(II) perchlorate
Kani, Yoshiyuki; Ohba, Shigeru; Kunita, Mami; Nishida, Yuzo; Acta Crystallographica Section C 56 (2000) e197–e197; doi:10.1107/S0108270100005588

data_2010960
_publ_section_title
;
 [1,6-Bis(2-pyridylmethyl)-2,5-diazahexane-\k^4^<i>N</i>]chlorocopper(II)
 perchlorate
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              e197
_journal_page_last               e197
_journal_paper_doi               10.1107/S0108270100005588
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac          '[Cu Cl (C16 H22 N4)] Cl O4'
_chemical_formula_sum            'C16 H22 Cl2 Cu N4 O4'
_chemical_formula_weight         468.83
_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                 95.100(9)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.044(2)
_cell_length_b                   11.0850(10)
_cell_length_c                   15.8580(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    299
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     1933.7(4)
_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 .9993
_diffrn_measured_fraction_theta_max .9993
_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  .028
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            4916
_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    1.436
_exptl_absorpt_correction_T_max  .764
_exptl_absorpt_correction_T_min  .365
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details   '(Coppens et al., 1965)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_size_max          .6
_exptl_crystal_size_mid          .5
_exptl_crystal_size_min          .2
_refine_diff_density_max         .98
_refine_diff_density_min         -.68
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.51
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     244
_refine_ls_number_reflns         4445
_refine_ls_R_factor_gt           .049
_refine_ls_shift/su_max          .0006
_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         .122
_reflns_number_gt                3426
_reflns_number_total             4445
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            qa0279.cif
_cod_data_source_block           I
_cod_original_cell_volume        1933.8(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010960
_cod_database_fobs_code          2010960