Bis(1,3-dimesitylimidazolyl)gold(I) 2,4,8,10-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,8,10-tetrabora-6-borataspiro[5.5]undecane
Möhlmann, Lennart; Wendt, Ola F.; Johnson, Magnus T.; Acta Crystallographica Section E 67 (2011) m719–m720; doi:10.1107/S1600536811016357

data_2230330
_publ_section_title
;
 Bis(1,3-dimesitylimidazolyl)gold(I)
 2,4,8,10-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,8,10-tetrabora-6-borataspiro[5.5]undecane
;
_journal_coeditor_code           HB5850
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m719
_journal_page_last               m720
_journal_paper_doi               10.1107/S1600536811016357
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Au (C21 H24 N2)2] (C24 H20 B5 O6)'
_chemical_formula_moiety         'C42 H48 Au N4 +, C24 H20 B5 O6 -'
_chemical_formula_sum            'C66 H68 Au B5 N4 O6'
_chemical_formula_weight         1264.26
_chemical_name_systematic
;
Bis(1,3-dimesitylimidazolyl)gold(I)
2,4,8,10-tetraphenyl-1,3,5,7,9,11-hexaoxa-2,4,8,10-tetrabora-
6-borataspiro[5.5]undecane
;
_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                94.810(10)
_cell_angle_beta                 112.860(10)
_cell_angle_gamma                117.650(10)
_cell_formula_units_Z            2
_cell_length_a                   15.388(2)
_cell_length_b                   15.768(2)
_cell_length_c                   16.453(2)
_cell_measurement_reflns_used    7585
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      33.16
_cell_measurement_theta_min      2.32
_cell_volume                     3083.1(9)
_computing_cell_refinement       'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2006)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2006)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2006)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1829
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur-3 CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0506
_diffrn_reflns_av_sigmaI/netI    0.0894
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19866
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         2.32
_exptl_absorpt_coefficient_mu    2.440
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.838
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis RED; Oxford Diffraction, 2006)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.362
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.021
_refine_diff_density_min         -0.912
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     751
_refine_ls_number_reflns         10639
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0729
_refine_ls_R_factor_gt           0.0456
_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^)+(0.0797P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1269
_refine_ls_wR_factor_ref         0.1517
_reflns_number_gt                7217
_reflns_number_total             10639
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb5850.cif
_cod_data_source_block           global
_cod_original_cell_volume        3083.2
_cod_database_code               2230330