Amine mediated proton transfer reaction and C-Cl bond activation of solvent chloroform by a trinuclear copper(II) complex of a glucopyranosylamine derived ligand.
Sah, Ajay K.; Tanase, Tomoaki; Dalton transactions (Cambridge, England : 2003)  (2006) 3742–3751; doi:10.1039/b606485j

data_7007502
_publ_section_title
;
 Amine mediated proton transfer reaction and C-Cl bond activation of
 solvent chloroform by a trinuclear copper(II) complex of a
 glucopyranosylamine derived ligand.
;
_journal_issue                   31
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3742
_journal_page_last               3751
_journal_paper_doi               10.1039/b606485j
_journal_year                    2006
_chemical_absolute_configuration 'CHOOSE rm ad rmad syn or unk'
_chemical_formula_moiety         'C21 H32 Cu N2 O6 '
_chemical_formula_sum            'C21 H32 Cu N2 O6'
_chemical_formula_weight         472.04
_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                77.465(10)
_cell_angle_beta                 82.337(14)
_cell_angle_gamma                88.386(16)
_cell_formula_units_Z            2
_cell_length_a                   6.612(4)
_cell_length_b                   12.230(6)
_cell_length_c                   14.089(7)
_cell_measurement_reflns_used    1789
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     1102.2(10)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_molecular_graphics    ORTEP-II
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.813
_diffrn_measured_fraction_theta_max 0.815
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8224
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.030
_exptl_absorpt_correction_T_max  0.921
_exptl_absorpt_correction_T_min  0.742
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue-green
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangl.
_exptl_crystal_F_000             498.00
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.03
_refine_diff_density_min         -1.54
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881. 2580 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.00(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     544
_refine_ls_number_reflns         4120
_refine_ls_R_factor_gt           0.0728
_refine_ls_shift/su_max          0.0146
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1015P)^2^+4.6768P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1926
_reflns_number_gt                8224
_reflns_number_total             9568
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b606485j.txt
_cod_data_source_block           '[Cu(HL1)(EtNH2)]_Compound_6'
_cod_original_cell_volume        1102.3(10)
_cod_original_formula_sum        'C21 H32 Cu N2 O6 '
_cod_database_code               7007502