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_4312636
_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         'C36 H44 Cu2 F12 N6 P2 S2 '
_chemical_formula_sum            'C36 H44 Cu2 F12 N6 P2 S2'
_chemical_formula_weight         1041.92
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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                 100.077(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.400(1)
_cell_length_b                   36.605(4)
_cell_length_c                   12.980(2)
_cell_measurement_reflns_used    21815
_cell_measurement_temperature    159.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      3.1
_cell_volume                     4397.4(10)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP3
_computing_publication_material  'CrystalStructure Ver. 3.10'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SAPI91
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9951
_diffrn_measured_fraction_theta_max 0.9951
_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  0.043
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       46
_diffrn_reflns_limit_k_min       -47
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            42831
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.221
_exptl_absorpt_correction_T_max  0.833
_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            yellow
_exptl_crystal_density_diffrn    1.574
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2120.00
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.55
_refine_diff_density_min         -1.72
_refine_ls_extinction_coef       17.4(9)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.949
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     586
_refine_ls_number_reflns         6424
_refine_ls_R_factor_gt           0.0780
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
'w = 1/[0.0005Fo^2^ + 3.0000\s^2^(Fo) + 0.5000]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0770
_reflns_number_gt                5170
_reflns_number_total             10033
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic034958hsi20030917_070457_3.cif
_cod_data_source_block
'_complex4;[Cu(I)2(S2,BnLPye1)(CH3CN)2](PF6)2___________'
_cod_original_cell_volume        4397.4(8)
_cod_original_formula_sum        'C36 H44 Cu2 F12 N6 P2 S2 '
_cod_database_code               4312636