Modulation of Coordination Chemistry in Copper(I) Complexes Supported by Bis[2-(2-pyridyl)ethyl]amine-Based Tridentate Ligands
Osako, Takao; Tachi, Yoshimitsu; Taki, Masayasu; Fukuzumi, Shunichi; Itoh, Shinobu; Inorganic Chemistry 40 (2001) 6604–6609; doi:10.1021/ic010625d

data_4340498
_publ_section_title
;
 Modulation of Coordination Chemistry in Copper(I) Complexes Supported by
 Bis[2-(2-pyridyl)ethyl]amine-Based Tridentate Ligands
;
_journal_coden_ASTM              INOCAJ
_journal_issue                   26
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6604
_journal_page_last               6609
_journal_paper_doi               10.1021/ic010625d
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C26 H32 Cl Cu N4 O4'
_chemical_formula_weight         563.56
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                106.494(2)
_cell_angle_beta                 106.108(5)
_cell_angle_gamma                99.266(3)
_cell_formula_units_Z            2
_cell_length_a                   11.956(1)
_cell_length_b                   12.073(1)
_cell_length_c                   10.379(1)
_cell_measurement_reflns_used    7959
_cell_measurement_temperature    158.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.2
_cell_volume                     1332.5(2)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9810
_diffrn_measured_fraction_theta_max 0.9810
_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  0.041
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9468
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.958
_exptl_absorpt_correction_T_max  0.826
_exptl_absorpt_correction_T_min  0.614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
     Higashi, T. (1995). Program for Absorption Correction.
     Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.405
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.53
_refine_diff_density_min         -1.27
_refine_ls_extinction_coef       -226.4(3)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   0.837
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     714
_refine_ls_number_reflns         4862
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          2.0530
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.005Fo^2^ + 1.000\s^2^(Fo)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0640
_reflns_number_gt                4708
_reflns_number_total             4201
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_duplicate_entry             4320710
_cod_data_source_file            ic010625d.cif
_cod_data_source_block           '_[CuI(L2)oCH3CN]ClO4_(2oCH3CN)'
_cod_original_sg_symbol_H-M      'P 1        '
_cod_original_formula_sum        'C52 H64 Cl2 Cu2 N8 O8 '
_cod_database_code               4340498