Structure and dioxygen-reactivity of copper(I) complexes supported by bis(6-methylpyridin-2-ylmethyl)amine tridentate ligands.
Osako, Takao; Terada, Shohei; Tosha, Takehiko; Nagatomo, Shigenori; Furutachi, Hideki; Fujinami, Shuhei; Kitagawa, Teizo; Suzuki, Masatatsu; Itoh, Shinobu; Dalton transactions (Cambridge, England : 2003)  (2005) 3514–3521; doi:10.1039/b500202h

data_7000117
_publ_section_title
;
 Structure and dioxygen-reactivity of copper(I) complexes supported by
 bis(6-methylpyridin-2-ylmethyl)amine tridentate ligands.
;
_journal_issue                   21
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3514
_journal_page_last               3521
_journal_paper_doi               10.1039/b500202h
_journal_year                    2005
_chemical_formula_moiety         ' C21 H23 Cu N3 O, Cl O4'
_chemical_formula_sum            'C22 H23 Cl Cu N3 O5'
_chemical_formula_weight         508.43
_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                88.88(1)
_cell_angle_beta                 109.24(1)
_cell_angle_gamma                91.35(1)
_cell_formula_units_Z            4
_cell_length_a                   11.159(2)
_cell_length_b                   17.147(2)
_cell_length_c                   12.387(2)
_cell_measurement_reflns_used    422
_cell_measurement_temperature    153.2
_cell_volume                     2237.0(6)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.8377
_diffrn_measured_fraction_theta_max 0.8377
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            7193
_diffrn_reflns_theta_full        25.78
_diffrn_reflns_theta_max         25.78
_exptl_absorpt_coefficient_mu    1.135
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.510
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1048.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.69
_refine_diff_density_min         -0.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.393
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     577
_refine_ls_number_reflns         6582
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.0065
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00240|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0729
_reflns_number_gt                6582
_reflns_number_total             7193
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            b500202h.txt
_cod_data_source_block           2BnCO
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C22 H23 Cl Cu N3 O5 '
_cod_database_code               7000117