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_7007500
_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_formula_moiety         '[Cu3(L1)2(EtNH2)2(MeOH)2].2MeOH.CHCl3 '
_chemical_formula_sum            'C47 H79 Cl3 Cu3 N4 O16'
_chemical_formula_weight         1253.16
_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                91.958(4)
_cell_angle_beta                 98.528(3)
_cell_angle_gamma                96.609(4)
_cell_formula_units_Z            1
_cell_length_a                   8.0925(5)
_cell_length_b                   12.2513(11)
_cell_length_c                   14.9817(11)
_cell_measurement_reflns_used    3781
_cell_measurement_temperature    153.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      4.1
_cell_volume                     1457.17(19)
_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    SIR97
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.900
_diffrn_measured_fraction_theta_max 0.883
_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  0.016
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13283
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    1.287
_exptl_absorpt_correction_T_max  0.773
_exptl_absorpt_correction_T_min  0.624
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.428
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             655.00
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.71
_refine_diff_density_min         -0.72
_refine_ls_abs_structure_Flack   0.08(2)
_refine_ls_extinction_coef       0.000
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     661
_refine_ls_number_reflns         5141
_refine_ls_R_factor_gt           0.0448
_refine_ls_shift/su_max          0.0218
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0657P)^2^+1.0710P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1070
_reflns_number_gt                5693
_reflns_number_total             5908
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            b606485j.txt
_cod_data_source_block           compound_2
_cod_original_formula_sum        'C47 H79 Cl3 Cu3 N4 O16 '
_cod_database_code               7007500