(N-Benzyl-bis-N',N''-salicylidene)-cis-1,3,5-triaminocyclohexane copper(II): a novel catalyst for the aerobic oxidation of benzyl alcohol.
Nairn, Alison K.; Archibald, Stephen J.; Bhalla, Rajiv; Gilbert, Bruce C.; Maclean, Elizabeth J.; Teat, Simon J.; Walton, Paul H.; Dalton transactions (Cambridge, England : 2003)  (2006) 172–176; doi:10.1039/b512296c

data_7006621
_publ_section_title
;
 (N-Benzyl-bis-N',N''-salicylidene)-cis-1,3,5-triaminocyclohexane
 copper(II): a novel catalyst for the aerobic oxidation of benzyl
 alcohol.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              172
_journal_page_last               176
_journal_paper_doi               10.1039/b512296c
_journal_year                    2006
_chemical_formula_sum            'C48 H71 Cu N3 O5'
_chemical_formula_weight         833.62
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.359(2)
_cell_angle_beta                 102.082(2)
_cell_angle_gamma                104.520(2)
_cell_formula_units_Z            4
_cell_length_a                   13.2972(12)
_cell_length_b                   15.5508(14)
_cell_length_c                   23.798(2)
_cell_measurement_reflns_used    26718
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      58.57
_cell_measurement_theta_min      4.50
_cell_volume                     4536.4(7)
_computing_cell_refinement       'Bruker AXS SAINT v6.01'
_computing_data_collection       'Bruker AXS SMART'
_computing_data_reduction        'Bruker AXS SAINT'
_computing_molecular_graphics    'Bruker AXS SHELXTL'
_computing_publication_material  'SHELXTL and local programs'
_computing_structure_refinement  'Bruker AXS SHELXTL'
_computing_structure_solution    'Bruker AXS SHELXTL'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.970
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Bruker AXS SMART CCD diffractometer'
_diffrn_measurement_method       '\w rotation with narrow frames'
_diffrn_radiation_monochromator  'Silicon 111'
_diffrn_radiation_source         'Daresbury SRS Station 9.8'
_diffrn_radiation_type           Synchrotron
_diffrn_radiation_wavelength     0.6883
_diffrn_reflns_av_R_equivalents  0.0806
_diffrn_reflns_av_sigmaI/netI    0.0816
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            34089
_diffrn_reflns_theta_full        22.68
_diffrn_reflns_theta_max         22.68
_diffrn_reflns_theta_min         1.74
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.529
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.97
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.221
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1796
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.081
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.107
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.918
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1086
_refine_ls_number_reflns         12960
_refine_ls_number_restraints     234
_refine_ls_restrained_S_all      0.914
_refine_ls_R_factor_all          0.0760
_refine_ls_R_factor_gt           0.0612
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1085P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1598
_refine_ls_wR_factor_ref         0.1658
_reflns_number_gt                8882
_reflns_number_total             12960
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512296c.txt
_cod_data_source_block           ejm38
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7006621