Chemistry surrounding monomeric copper(I) methyl, phenyl, anilido, ethoxide, and phenoxide complexes supported by N-heterocyclic carbene ligands: reactivity consistent with both early and late transition metal systems.
Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Pierpont, Aaron W.; Petersen, Jeffrey L.; Boyle, Paul D.; Inorganic chemistry 45 (2006) 9032–9045; doi:10.1021/ic0611995

data_4350558
_publ_section_title
;
 Chemistry surrounding monomeric copper(I) methyl, phenyl, anilido,
 ethoxide, and phenoxide complexes supported by N-heterocyclic carbene
 ligands: reactivity consistent with both early and late transition metal
 systems.
;
_journal_issue                   22
_journal_name_full               'Inorganic chemistry'
_journal_page_first              9032
_journal_page_last               9045
_journal_paper_doi               10.1021/ic0611995
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C30 H32 Cu N2 O'
_chemical_formula_sum            'C30 H32 Cu N2 O'
_chemical_formula_weight         500.14
_chemical_name_common            (IMes)Cu(OPh)
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90.0
_cell_angle_beta                 120.164(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   16.8260(9)
_cell_length_b                   23.1927(13)
_cell_length_c                   15.4484(12)
_cell_measurement_reflns_used    8805
_cell_measurement_temperature    110
_cell_measurement_theta_max      29.55
_cell_measurement_theta_min      2.33
_cell_volume                     5212.3(6)
_computing_cell_refinement       'Bruker-Nonius Apex2'
_computing_data_collection       'Bruker-Nonius Apex2'
_computing_data_reduction        SAINT+
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    SIR97
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measurement_device       'Bruker-Nonius X8 Apex2'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            139762
_diffrn_reflns_theta_full        30.07
_diffrn_reflns_theta_max         30.07
_diffrn_reflns_theta_min         1.00
_diffrn_source                   'xray tube'
_exptl_absorpt_coefficient_mu    0.86
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8710
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_description       'large prisms'
_exptl_crystal_F_000             2107.75
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.38
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.75
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     308
_refine_ls_number_reflns         7067
_refine_ls_R_factor_all          0.049
_refine_ls_R_factor_gt           0.044
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '1/(\s^2^(F)+0.0005F^2^) '
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.057
_refine_ls_wR_factor_ref         0.056
_reflns_number_gt                7094
_reflns_number_total             7585
_reflns_threshold_expression     'Inet > 1.0\s(Inet)'
_cod_data_source_file            ic0611995si20060630_103335.cif
_cod_data_source_block           (IMes)Cu(OPh)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4350558