(2,2'-Bipyridine)(2-{1-[2-(dimethylamino)ethylimino]ethyl}-4-methoxyphenolato)copper(II) perchlorate
Tsai, Yueh-Hsuan; Hung, Wen-Chou; Lin, Chu-Chieh; Acta Crystallographica Section E 65 (2009) m578–; doi:10.1107/S1600536809014573

data_2221785
_publ_section_title
;(2,2'-Bipyridine)(2-{1-[2-(dimethylamino)ethylimino]ethyl}-4-methoxyphenolato)copper(II)
 perchlorate
;
_journal_coeditor_code           RK2135
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m578
_journal_paper_doi               10.1107/S1600536809014573
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Cu (C13 H19 N2 O2) (C10 H8 N2)] Cl O4'
_chemical_formula_moiety         'C23 H27 Cu N4 O2 +, Cl O4 -'
_chemical_formula_sum            'C23 H27 Cl Cu N4 O6'
_chemical_formula_weight         554.49
_chemical_name_systematic
;
(2,2'-Bipyridine)(2-{1-[2-(dimethylamino)ethylimino]ethyl}-4-
methoxyphenolato)copper(II) perchlorate
;
_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                 92.610(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1588(10)
_cell_length_b                   18.2163(17)
_cell_length_c                   13.3764(13)
_cell_measurement_reflns_used    4710
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.563
_cell_measurement_theta_min      2.2975
_cell_volume                     2472.8(4)
_computing_cell_refinement       'SMART (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\f and \w scans'
_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  0.0367
_diffrn_reflns_av_sigmaI/netI    0.0400
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13946
_diffrn_reflns_theta_full        26.01
_diffrn_reflns_theta_max         26.01
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.037
_exptl_absorpt_correction_T_max  0.8599
_exptl_absorpt_correction_T_min  0.7193
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parallelpiped
_exptl_crystal_F_000             1148
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.332
_refine_diff_density_min         -0.300
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.981
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4859
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0605
_refine_ls_R_factor_gt           0.0377
_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^)+(0.06P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0935
_refine_ls_wR_factor_ref         0.1049
_reflns_number_gt                3488
_reflns_number_total             4859
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2135.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2221785
_cod_database_fobs_code          2221785