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_7007501
_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         'C8 H26 Cl2 Cu N4 O '
_chemical_formula_sum            'C8 H26 Cl2 Cu N4 O'
_chemical_formula_weight         328.77
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 122.187(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.668(8)
_cell_length_b                   8.306(6)
_cell_length_c                   9.478(7)
_cell_measurement_reflns_used    674
_cell_measurement_temperature    153.2
_cell_measurement_theta_max      26.7
_cell_measurement_theta_min      4.7
_cell_volume                     710.8(9)
_computing_cell_refinement       CRYSTALCLEAR
_computing_data_collection       CRYSTALCLEAR
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_molecular_graphics    ORTEP-II
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  SHELXL93
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 14.71
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.010
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       9
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            1587
_diffrn_reflns_theta_max         26.58
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    1.900
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.684
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_size_max          0.350
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.56
_refine_diff_density_min         -0.56
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881. 2580 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.08(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     75
_refine_ls_number_reflns         558
_refine_ls_R_factor_gt           0.0752
_refine_ls_shift/su_max          0.0351
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0445P)^2^+6.1836P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1484
_reflns_number_gt                558
_reflns_number_total             592
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            b606485j.txt
_cod_data_source_block           trans-[CuCl2(dmen)2].H2O_(compound13c)
_cod_original_cell_volume        710.7(9)
_cod_original_formula_sum        'C8 H26 Cl2 Cu N4 O '
_cod_database_code               7007501