Cleavage of X-H Bonds (X = N, O, or C) by Copper(I) Alkyl Complexes To Form Monomeric Two-Coordinate Copper(I) Systems
Laurel A. Goj; Elizabeth D. Blue; Colleen Munro-Leighton; T. Brent Gunnoe; Jeffrey L. Petersen; Inorganic Chemistry 44 (2005) 8647–8649; doi:10.1021/ic0517624

data_4310138
_publ_contact_author_address
;Department of Chemistry
North Carolina State University
Campus Box 8204
Raleigh, NC 27696
;
_publ_contact_author_email       brent_gunnoe@ncsu.edu
_publ_contact_author_fax         919-515-8909
_publ_contact_author_name        'T. Brent Gunnoe'
_publ_contact_author_phone       919-513-3904
_publ_section_title
;
Cleavage of X-H Bonds (X = N, O, or C) by Copper(I) Alkyl Complexes To
Form Monomeric Two-Coordinate Copper(I) Systems
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8647
_journal_page_last               8649
_journal_paper_doi               10.1021/ic0517624
_journal_volume                  44
_journal_year                    2005
_chemical_formula_sum            'C42 H50 Cu N2 O2'
_chemical_formula_weight         678.38
_chemical_name_common            Complex
_chemical_name_systematic
; 
 (IPr)Cu(OPh)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.3030(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8186(5)
_cell_length_b                   20.9362(11)
_cell_length_c                   17.5965(9)
_cell_measurement_temperature    295(2)
_cell_volume                     3805.2(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0415
_diffrn_reflns_av_sigmaI/netI    0.0586
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            25706
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.55
_exptl_absorpt_coefficient_mu    0.610
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1444
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.34
_refine_diff_density_max         0.320
_refine_diff_density_min         -0.403
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.013
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     433
_refine_ls_number_reflns         8624
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0453
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0607P)^2^+0.8866P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1197
_refine_ls_wR_factor_ref         0.1346
_reflns_number_gt                6301
_reflns_number_total             8624
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0517624si20051011_050352_3.cif
_cod_data_source_block           bg498ccd
_cod_database_code               4310138