Initial employment of α-benzoin oxime as a route to high-nuclearity metal clusters: decanuclear CuII complexes with a wheel topology
Vlahopoulou, Gina C.; Stamatatos, Theocharis C.; Psycharis, Vassilis; Perlepes, Spyros P.; Christou, George; Dalton Transactions  (2009) 3646–3649; doi:10.1039/b901990a

data_7001295
_publ_section_title
;
 Initial employment of \a-benzoin oxime as a route to high-nuclearity
 metal clusters: decanuclear CuII complexes with a wheel topology
;
_journal_issue                   19
_journal_name_full               'Dalton Transactions'
_journal_page_first              3646
_journal_page_last               3649
_journal_paper_doi               10.1039/b901990a
_journal_year                    2009
_chemical_formula_sum            'C188 H226 Cu10 N26 O38'
_chemical_formula_weight         4093.35
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                67.5200(10)
_cell_angle_beta                 85.5750(10)
_cell_angle_gamma                65.9770(10)
_cell_formula_units_Z            1
_cell_length_a                   17.6557(3)
_cell_length_b                   17.9324(3)
_cell_length_c                   18.0189(3)
_cell_measurement_temperature    180(2)
_cell_volume                     4793.97(15)
_computing_cell_refinement       'CrystalClear, Rigaku MSC, 2005'
_computing_data_collection       'CrystalClear, Rigaku MSC, 2005'
_computing_data_reduction        'CrystalClear, Rigaku MSC, 2005'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.962
_diffrn_measured_fraction_theta_max 0.962
_diffrn_measurement_device_type  'Rigaku R-AXIS SPIDER IPDS'
_diffrn_measurement_method       '\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0753
_diffrn_reflns_av_sigmaI/netI    0.0646
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            64502
_diffrn_reflns_theta_full        65.00
_diffrn_reflns_theta_max         65.00
_diffrn_reflns_theta_min         6.82
_diffrn_standards_decay_%        -0.2
_exptl_absorpt_coefficient_mu    1.831
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.613
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            dark
_exptl_crystal_density_diffrn    1.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       parall
_exptl_crystal_F_000             2130
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.858
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1378
_refine_ls_number_reflns         15688
_refine_ls_number_restraints     64
_refine_ls_restrained_S_all      1.071
_refine_ls_R_factor_all          0.0751
_refine_ls_R_factor_gt           0.0686
_refine_ls_shift/su_max          0.034
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1048P)^2^+5.6241P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1892
_refine_ls_wR_factor_ref         0.1959
_reflns_number_gt                13346
_reflns_number_total             15688
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b901990a.txt
_cod_data_source_block           pegv427
_cod_original_cell_volume        4793.97(14)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7001295