Synthesis, Structure, and Properties of a T-Shaped 14-Electron Stiboranyl-Gold Complex
Wade, Casey R.; Lin, Tzu-Pin; Nelson, Ryan C.; Mader, Elizabeth A.; Miller, Jeffrey T.; Gabbaï, François P; Journal of the American Chemical Society 133 (2011) 8948–8955; doi:10.1021/ja201092g

data_4121887
_publ_section_title
;
 Synthesis, Structure, and Properties of a T-Shaped 14-Electron
 Stiboranyl-Gold Complex
;
_journal_coden_ASTM              JACSAT
_journal_issue                   23
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8948
_journal_page_last               8955
_journal_paper_doi               10.1021/ja201092g
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C48 H58 Au F N Sb'
_chemical_formula_weight         986.67
_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                85.612(2)
_cell_angle_beta                 83.940(2)
_cell_angle_gamma                83.805(2)
_cell_formula_units_Z            4
_cell_length_a                   12.6431(16)
_cell_length_b                   15.846(2)
_cell_length_c                   23.458(3)
_cell_measurement_reflns_used    4229
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      20.99
_cell_measurement_theta_min      2.18
_cell_volume                     4636.0(10)
_computing_cell_refinement       'SAINT+ ver. (Bruker, 2001)'
_computing_data_collection       APEX2
_computing_data_reduction        'SAINT+ ver. (Bruker, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker SMART APEX II 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  0.0842
_diffrn_reflns_av_sigmaI/netI    0.1239
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            44374
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    3.777
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5171
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.414
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1968
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.04
_platon_squeeze_details
;
;
_refine_diff_density_max         1.595
_refine_diff_density_min         -1.757
_refine_diff_density_rms         0.157
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     925
_refine_ls_number_reflns         16255
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.1082
_refine_ls_R_factor_gt           0.0556
_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^)+(0.0250P)^2^+1.7000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1064
_refine_ls_wR_factor_ref         0.1179
_reflns_number_gt                8715
_reflns_number_total             16255
_reflns_threshold_expression     >2sigma(I)
_cod_duplicate_entry             4106230
_cod_data_source_file            ja201092g_si_003.cif
_cod_data_source_block           platon
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-11

 Marked entry as a duplicate of entry 4106230.

 Antanas Vaitkus,
 2019-10-11
;
_cod_database_code               4121887