Structures and Redox Reactivities of Copper Complexes of (2-Pyridyl)alkylamine Ligands. Effects of the Alkyl Linker Chain Length
Takao Osako; Yoshiki Ueno; Yoshimitsu Tachi; Shinobu Itoh; Inorganic Chemistry 42 (2003) 8087–8097; doi:10.1021/ic034958h

data_4312634
_publ_section_title
;
 Structures and Redox Reactivities of Copper Complexes of
 (2-Pyridyl)alkylamine Ligands. Effects of the Alkyl Linker Chain Length
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8087
_journal_page_last               8097
_journal_paper_doi               10.1021/ic034958h
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C20 H21 Cl Cu N3 O4 '
_chemical_formula_sum            'C20 H21 Cl Cu N3 O4'
_chemical_formula_weight         466.40
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                90.48(5)
_cell_angle_beta                 92.01(4)
_cell_angle_gamma                92.12(3)
_cell_formula_units_Z            4
_cell_length_a                   7.287(8)
_cell_length_b                   11.54(1)
_cell_length_c                   23.58(2)
_cell_measurement_reflns_used    7716
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1980(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 3.10'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.8435
_diffrn_measured_fraction_theta_max 0.8435
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.134
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            12173
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.270
_exptl_absorpt_correction_T_max  0.881
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             960.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.00
_refine_diff_density_min         -2.29
_refine_ls_extinction_coef       128.0(2)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.982
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     566
_refine_ls_number_reflns         6196
_refine_ls_R_factor_gt           0.0930
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 3.0000\s^2^(Fo) + 0.1000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0950
_reflns_number_gt                4072
_reflns_number_total             7666
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic034958hsi20030917_070457_1.cif
_cod_data_source_block           '_complex1;[Cu(I)(PheLPym2)]ClO4_____________'
_cod_original_cell_volume        1980.2(3)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C20 H21 Cl Cu N3 O4 '
_cod_database_code               4312634