Facile reactions of gold(i) complexes with tri(tert-butyl)azadiboriridine.
Shang, Rong; Saito, Souta; Jimenez-Halla, J Oscar C; Yamamoto, Yohsuke; Dalton transactions (Cambridge, England : 2003) 47 (2018) 5181–5188; doi:10.1039/c8dt00697k

data_7045803
_publ_section_title
;
 Facile reactions of gold(i) complexes with
 tri(tert-butyl)azadiboriridine.
;
_journal_issue                   15
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5181
_journal_page_last               5188
_journal_paper_doi               10.1039/c8dt00697k
_journal_volume                  47
_journal_year                    2018
_chemical_formula_moiety         'C30 H42 Au B2 Cl N P'
_chemical_formula_sum            'C30 H42 Au B2 Cl N P'
_chemical_formula_weight         701.65
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/5
_audit_update_record
;
2017-10-04 deposited with the CCDC.
2018-03-06 downloaded from the CCDC.
;
_cell_angle_alpha                82.5180(10)
_cell_angle_beta                 85.7800(10)
_cell_angle_gamma                62.0710(10)
_cell_formula_units_Z            2
_cell_length_a                   8.9905(8)
_cell_length_b                   9.4769(8)
_cell_length_c                   20.3831(17)
_cell_measurement_reflns_used    3936
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.58
_cell_measurement_theta_min      2.45
_cell_volume                     1521.2(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  'Bruker Helios multilayered confocal mirror'
_diffrn_radiation_source         'Bruker TXS fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0159
_diffrn_reflns_av_unetI/netI     0.0443
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.954
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            8956
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.954
_diffrn_reflns_theta_full        26.000
_diffrn_reflns_theta_max         27.789
_diffrn_reflns_theta_min         2.447
_exptl_absorpt_coefficient_mu    4.995
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_correction_T_min  0.753
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 SADABS (Sheldrick, 2014)
;
_exptl_crystal_colour            pink
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_description       block
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.083
_exptl_crystal_size_mid          0.068
_exptl_crystal_size_min          0.032
_refine_diff_density_max         1.180
_refine_diff_density_min         -0.561
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         6868
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0366
_refine_ls_R_factor_gt           0.0285
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0281P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0568
_refine_ls_wR_factor_ref         0.0591
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6032
_reflns_number_total             6868
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8dt00697k2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7045799--7045803.cif.'
_cod_database_code               7045803
_shelx_estimated_absorpt_t_min   0.682
_shelx_estimated_absorpt_t_max   0.857
_shelxl_version_number           2014/5
_shelx_res_checksum              42045