Tetranuclear copper(ii)-Schiff-base complexes as active catalysts for oxidation of cyclohexane and toluene.
Roy, Partha; Manassero, Mario; Dalton transactions (Cambridge, England : 2003) 39 (2010) 1539–1545; doi:10.1039/b914017d

data_7024270
_publ_section_title
;
 Tetranuclear copper(ii)-Schiff-base complexes as active catalysts for
 oxidation of cyclohexane and toluene.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1539
_journal_page_last               1545
_journal_paper_doi               10.1039/b914017d
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C36 H45 Cl4 Cu4 N5 O11'
_chemical_formula_weight         1119.76
_chemical_name_common            (Cu4(O)(L2)2(CH3COO)4)
_space_group_IT_number           88
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_audit_creation_date             08-05-03
_audit_creation_method           'from The Personal SDP version 2.1.1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   12.3084
_cell_length_c                   33.3164(17)
_cell_measurement_reflns_used    8765
_cell_measurement_temperature    150
_cell_measurement_theta_max      28
_cell_measurement_theta_min      3
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_computing_cell_refinement       'SMART (Bruker)'
_computing_data_collection       'SMART (Bruker)'
_computing_data_reduction        'SAINT (Bruker)'
_computing_structure_refinement
' Full-matrix least-squares (The Personal SDP, 1991)'
_computing_structure_solution
' SHELXS-86 (Sheldrick, 1986) as implemented in The Personal SDP'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device       'SMART (Bruker)'
_diffrn_measurement_method       omega
_diffrn_radiation_detector       'SMART CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
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_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       46
_diffrn_reflns_limit_l_min       -46
_diffrn_reflns_reduction_process SAINT
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_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0.00
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_exptl_absorpt_correction_T_min  0.824
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ' SADABS'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_description       bipyramid
_exptl_crystal_F_000             2272
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
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_refine_diff_density_min         -.554
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_refine_ls_shift/esd_mean        0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.117
_cod_data_source_file            b914017d.txt
_cod_data_source_block           compound_2.CH3CN
_cod_original_cell_volume        5047.3(5)
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_database_code               7024270
_diffrn_reflns_number_total      71176
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_r_int                           0.0217
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_frame_width_degrees             0.30
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_refine_diff_density_esd         0.456