Copper(II) Hydroxide Complexes of N-Heterocyclic Carbenes and Catalytic Oxidative Amination of Arylboronic Acids
Liu, Bo; Liu, Bin; Zhou, Yongbo; Chen, Wanzhi; Organometallics 29 (2010) 1457–; doi:10.1021/om100009u

data_4065579
_publ_section_title
;
 Copper(II) Hydroxide Complexes of N-Heterocyclic Carbenes and Catalytic
 Oxidative Amination of Arylboronic Acids
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1457
_journal_paper_doi               10.1021/om100009u
_journal_volume                  29
_journal_year                    2010
_chemical_formula_sum            'C116 H124 Ag12 F48 N44 O2 P8'
_chemical_formula_weight         4620.79
_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                84.220(4)
_cell_angle_beta                 89.721(5)
_cell_angle_gamma                89.160(4)
_cell_formula_units_Z            1
_cell_length_a                   13.943(5)
_cell_length_b                   14.111(5)
_cell_length_c                   23.283(8)
_cell_measurement_temperature    293(2)
_cell_volume                     4557(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0354
_diffrn_reflns_av_sigmaI/netI    0.0979
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            23478
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    1.431
_exptl_absorpt_correction_T_max  0.7727
_exptl_absorpt_correction_T_min  0.6418
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.684
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2260
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_refine_diff_density_max         3.584
_refine_diff_density_min         -0.987
_refine_diff_density_rms         0.182
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.886
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1090
_refine_ls_number_reflns         15651
_refine_ls_number_restraints     852
_refine_ls_restrained_S_all      0.903
_refine_ls_R_factor_all          0.1353
_refine_ls_R_factor_gt           0.0768
_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^)+(0.1500P)^2^+0.7451P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1981
_refine_ls_wR_factor_ref         0.2263
_reflns_number_gt                8627
_reflns_number_total             15651
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om100009u_si_001.cif
_cod_data_source_block           060730d
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4065579