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_4312635
_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 Cl2 Cu N3 O4 '
_chemical_formula_sum            'C20 H21 Cl2 Cu N3 O4'
_chemical_formula_weight         501.86
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.298(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.8824(2)
_cell_length_b                   15.2501(4)
_cell_length_c                   14.1688(2)
_cell_measurement_reflns_used    446
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      26.4
_cell_measurement_theta_min      4.5
_cell_volume                     2134.80(8)
_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 0.9872
_diffrn_measured_fraction_theta_max 0.9872
_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  0.061
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            20143
_diffrn_reflns_theta_full        27.33
_diffrn_reflns_theta_max         27.33
_exptl_absorpt_coefficient_mu    1.305
_exptl_absorpt_correction_T_max  0.770
_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            blue
_exptl_crystal_density_diffrn    1.561
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1028.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.75
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.898
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     292
_refine_ls_number_reflns         3345
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0010Fo^2^ + 2.5000\s^2^(Fo) + 0.0050]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0410
_reflns_number_gt                3345
_reflns_number_total             4760
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic034958hsi20030917_070457_2.cif
_cod_data_source_block
'_complex3;[Cu(II)(PheLPym2)(Cl)]ClO4_____________'
_cod_original_formula_sum        'C20 H21 Cl2 Cu N3 O4 '
_cod_database_code               4312635