Novel ambient light induced trimerization of a simple copper(II) monomeric Schiff base complex.
Saha, Manas K; Bernal, Ivan; Fronczek, Frank R; Chemical communications (Cambridge, England)  (2004) 84–85; doi:10.1039/b310764g

data_7102392
_publ_section_title
;
 Novel ambient light induced trimerization of a simple copper(II)
 monomeric Schiff base complex.
;
_journal_issue                   1
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              84
_journal_page_last               85
_journal_paper_doi               10.1039/b310764g
_journal_year                    2004
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C52 H86 Cl8 Cu2 N8 O9'
_chemical_formula_sum            'C52 H86 Cl8 Cu2 N8 O9'
_chemical_formula_weight         1377.97
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                107.37(2)
_cell_angle_beta                 92.56(2)
_cell_angle_gamma                99.28(2)
_cell_formula_units_Z            2
_cell_length_a                   13.206(6)
_cell_length_b                   15.113(6)
_cell_length_c                   16.999(8)
_cell_measurement_reflns_used    10691
_cell_measurement_temperature    100
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      2.5
_cell_measurement_wavelength     0.71073
_cell_volume                     3180(2)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'KappaCCD (with Oxford Cryostream)'
_diffrn_measurement_method       ' \w scans with \k offsets'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0814
_diffrn_reflns_av_unetI/netI     0.1355
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            20881
_diffrn_reflns_theta_full        24.97
_diffrn_reflns_theta_max         24.97
_diffrn_reflns_theta_min         2.76
_exptl_absorpt_coefficient_mu    1.062
_exptl_absorpt_correction_T_max  0.9654
_exptl_absorpt_correction_T_min  0.7978
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'HKL Scalepack (Otwinowski & Minor 1997)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.558
_refine_diff_density_min         -0.765
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       0.0000(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.993
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1000
_refine_ls_number_reflns         11060
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.1411
_refine_ls_R_factor_gt           0.0648
_refine_ls_shift/su_max          2.308
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0848P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1477
_refine_ls_wR_factor_ref         0.1785
_reflns_number_gt                6005
_reflns_number_total             11060
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b310764g.txt
_cod_data_source_block           Compound2
_cod_database_code               7102392