Synthesis, Crystal Structures, and Catalytic Activity of Dicopper(II) Complexes with Dinucleating Tetraimidazole Ligands [Cu2(RO)(mbipl)](ClO4)2 (R = Me, Et, 2-Pr; Hmbipl = 1,5-Bis[bis[(1-methyl-4-imidazolyl)methyl]amino]-3-pentanol) and [Cu2(MeO)(pbipl)](ClO4)2 (Hpbipl = 1,5-Bis[bis[(1-isopropyl-4-imidazolyl)methyl]amino]-3-pentanol)
Masahito Kodera; Norihisa Terasako; Toshio Kita; Yoshimitsu Tachi; Koji Kano; Mikio Yamazaki; Masayuki Koikawa; Tadashi Tokii; Inorganic Chemistry 36 (1997) 3861–3868; doi:10.1021/ic961267v

data_4323576
_publ_section_title
;
 Synthesis, Crystal Structures, and Catalytic Activity of Dicopper(II)
 Complexes with Dinucleating Tetraimidazole Ligands
 [Cu2(RO)(mbipl)](ClO4)2 (R = Me, Et, 2-Pr; Hmbipl =
 1,5-Bis[bis[(1-methyl-4-imidazolyl)methyl]amino]-3-pentanol) and
 [Cu2(MeO)(pbipl)](ClO4)2 (Hpbipl =
 1,5-Bis[bis[(1-isopropyl-4-imidazolyl)methyl]amino]-3-pentanol)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3861
_journal_page_last               3868
_journal_paper_doi               10.1021/ic961267v
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C29 H46 Cl4 Cu2 N10 O10'
_chemical_formula_weight         963.65
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Thu Aug 29 17:53:36 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 102.68(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   27.619(8)
_cell_length_b                   10.467(8)
_cell_length_c                   28.971(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      11.7
_cell_volume                     8171(7)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.00344
_diffrn_orient_matrix_UB_12      -0.01174
_diffrn_orient_matrix_UB_13      0.03483
_diffrn_orient_matrix_UB_21      -0.03692
_diffrn_orient_matrix_UB_22      -0.00495
_diffrn_orient_matrix_UB_23      -0.00473
_diffrn_orient_matrix_UB_31      0.00150
_diffrn_orient_matrix_UB_32      -0.09469
_diffrn_orient_matrix_UB_33      -0.00407
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  3.04
_diffrn_reflns_av_sigmaI/netI    0.000
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            10099
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        -1.62
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.366
_exptl_absorpt_correction_T_max  1.044
_exptl_absorpt_correction_T_min  0.911
_exptl_absorpt_correction_type   '\DF (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.567
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3968.00
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.200
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.62
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   2.727
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     497
_refine_ls_number_reflns         4074
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0652
_refine_ls_shift/esd_max         2.2870
_refine_ls_shift/esd_mean        0.1630
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0888
_reflns_number_observed          4074
_reflns_number_total             9892
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            ic961267v_2.cif
_cod_data_source_block           master_file_afc7*.xtl
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00010|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.00010|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        8170(6)
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_original_formula_sum        'C29 H46 Cl4 Cu2 N10 O10 '
_cod_database_code               4323576