Synthesis, Solid-State Crystal Structure, and Reactivity of a Monomeric Copper(I) Anilido Complex
Elizabeth D. Blue; Amelia Davis; David Conner; T. Brent Gunnoe; Paul D. Boyle; P. S. White; Journal of the American Chemical Society 125 (2003) 9435–9441; doi:10.1021/ja0353659

data_4114029
_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       919-513-3704
_publ_section_title
;
 Synthesis, Solid-State Crystal Structure, and Reactivity of a Monomeric
 Copper(I) Anilido Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9435
_journal_page_last               9441
_journal_paper_doi               10.1021/ja0353659
_journal_volume                  125
_journal_year                    2003
_chemical_formula_moiety         'C24 H47 B Cu F4 N P2 '
_chemical_formula_sum            'C24 H47 B Cu F4 N P2'
_chemical_formula_weight         561.93
_chemical_name_systematic
;
 [(dtbpe)Cu(NH2Ph)][BF4]
;
_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'
_cell_angle_alpha                90.0
_cell_angle_beta                 97.36(3)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   11.199(3)
_cell_length_b                   16.080(3)
_cell_length_c                   15.882(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    148
_cell_measurement_theta_max      17.50
_cell_measurement_theta_min      16.00
_cell_volume                     2836.5(11)
_computing_cell_refinement       'Nonius CAD4 Argus'
_computing_data_collection       'Nonius CAD4 Argus'
_computing_data_reduction        'NRCVAX DATRD2'
_computing_molecular_graphics    NRCVAX
_computing_publication_material  'NRCVAX TABLES Jan 94 Version'
_computing_structure_refinement  'NRCVAX LSTSQ'
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      148
_diffrn_measurement_device       'Nonius CAD-4    '
_diffrn_measurement_method       'Omega scan b/P/b        '
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'xray tube'
_diffrn_radiation_type           'Molybdenum K\a'
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6765
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.20
_diffrn_standards_decay_%        1.3
_diffrn_standards_interval_time  80
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .92
_exptl_absorpt_correction_T_max  .9998
_exptl_absorpt_correction_T_min  .8850
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   'NRCVAX ABSORP'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.316
_exptl_crystal_description       prism
_exptl_crystal_F_000             1194.83
_exptl_crystal_size_max          .36
_exptl_crystal_size_mid          .28
_exptl_crystal_size_min          .24
_refine_diff_density_max         0.82
_refine_diff_density_min         -0.54
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.27
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     486
_refine_ls_number_reflns         4838
_refine_ls_R_factor_all          .084
_refine_ls_R_factor_obs          .041
_refine_ls_shift/esd_max         .001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     '1/(\s^2^(F)+ .0004F^2^) '
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         .043
_refine_ls_wR_factor_obs         .042
_reflns_number_observed          4841
_reflns_number_total             6765
_reflns_observed_criterion       'Inet > 1.0\s(Inet)'
_cod_data_source_file            ja0353659si20030328_033625_1.cif
_cod_data_source_block           x03018
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C24 H47 B Cu F4 N P2 '
_cod_database_code               4114029