[(6-Methyl-2-pyridylmethyl)(2-pyridylmethyl)amine][(2-pyridylmethyl)amine]copper(II) bis(perchlorate)
Butcher, Ray J.; Tesema, Yohannes T.; Yisgedu, Teshome B.; Gultneh, Yilma; Acta Crystallographica Section E 64 (2008) m74–m75; doi:10.1107/S1600536807062952

data_2217343
_publ_section_title
;[(6-Methyl-2-pyridylmethyl)(2-pyridylmethyl)amine][(2-pyridylmethyl)amine]copper(II)
 bis(perchlorate)
;
_journal_coeditor_code           TK2224
_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m74
_journal_page_last               m75
_journal_paper_doi               10.1107/S1600536807062952
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          '[Cu (C6 H8 N2) (C13 H15 N3)] (Cl O4)2'
_chemical_formula_moiety         'C19 H23 Cu N5 2+ , 2Cl O4 -'
_chemical_formula_sum            'C19 H23 Cl2 Cu N5 O8'
_chemical_formula_weight         583.86
_chemical_name_systematic
;
[(6-Methyl-2-pyridylmethyl)(2-pyridylmethyl)amine][(2-
pyridylmethyl)amine]copper(II) bis(perchlorate)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 99.931(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.3178(10)
_cell_length_b                   13.9691(19)
_cell_length_c                   19.223(3)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      5.1
_cell_volume                     2464.6(6)
_computing_cell_refinement       'XSCANS (Bruker, 1997)'
_computing_data_collection       'XSCANS (Bruker, 1997)'
_computing_data_reduction        'SHELXTL (Bruker, 2000)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2000)'
_computing_publication_material  'SHELXTL (Bruker, 2000)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker P4S'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_av_sigmaI/netI    0.056
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            5832
_diffrn_reflns_theta_full        25.0
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.6
_diffrn_standards_decay_%        <2%
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.157
_exptl_absorpt_correction_T_max  0.505
_exptl_absorpt_correction_T_min  0.444
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   '\y-scan (North <i>et al.</i>,  1968)'
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1196
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.40
_refine_diff_density_min         -0.25
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.02
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     394
_refine_ls_number_reflns         5494
_refine_ls_number_restraints     118
_refine_ls_restrained_S_all      1.08
_refine_ls_R_factor_all          0.098
_refine_ls_R_factor_gt           0.054
_refine_ls_shift/su_max_lt       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^)+(0.0609P)^2^+0.9236P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.125
_refine_ls_wR_factor_ref         0.145
_reflns_number_gt                3410
_reflns_number_total             5494
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk2224.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2217343
_cod_database_fobs_code          2217343