Gold(III) six-membered N^C^N pincer complexes: synthesis, structure, reactivity and theoretical calculations.
Alesso, Giuseppe; Cinellu, Maria Agostina; Stoccoro, Sergio; Zucca, Antonio; Minghetti, Giovanni; Manassero, Carlo; Rizzato, Silvia; Swang, Ole; Ghosh, Manik Kumer; Dalton transactions (Cambridge, England : 2003) 39 (2010) 10293–10304; doi:10.1039/c0dt00705f

data_7702880
_publ_section_title
;
 Gold(III) six-membered N^C^N pincer complexes: synthesis, structure,
 reactivity and theoretical calculations.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10293
_journal_page_last               10304
_journal_paper_doi               10.1039/c0dt00705f
_journal_volume                  39
_journal_year                    2010
_chemical_formula_sum            'C18 H18 Au Cl5 N2'
_chemical_formula_weight         636.56
_space_group_crystal_system      orthorhombic
_space_group_IT_number           39
_space_group_name_Hall           'A 2 -2b'
_space_group_name_H-M_alt        'A e m 2'
_audit_creation_date             10-02-16
_audit_creation_method           'from The Personal SDP version 2.1.1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.5498(4)
_cell_length_b                   26.3130(26)
_cell_length_c                   18.0718(18)
_cell_measurement_reflns_used    5941
_cell_measurement_temperature    296
_cell_measurement_theta_max      23
_cell_measurement_theta_min      3
_cell_volume                     2163.5(4)
_computing_cell_refinement       'APEX II (Bruker)'
_computing_data_collection       'APEX II (Bruker)'
_computing_data_reduction        'SAINT (Bruker)'
_computing_structure_refinement
' Full-matrix least-squares (The Personal SDP, 1991)'
_computing_structure_solution
' SHELXS-86 (Sheldrick, 1986) as implemented in The Personal SDP'
_diffrn_ambient_temperature      296
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measurement_device       'APEX II (Bruker)'
_diffrn_measurement_method       omega
_diffrn_radiation_detector       'APEX II CCD area detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           Mo-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_reduction_process SAINT
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         174
_exptl_absorpt_coefficient_mu    7.423
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.366
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ' SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.954
_exptl_crystal_description       plate
_exptl_crystal_F_000             1216
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.050
_refine_diff_density_max         3.567
_refine_diff_density_min         -2.272
_refine_ls_goodness_of_fit_all   0.962
_refine_ls_goodness_of_fit_obs   0.962
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    22
_refine_ls_number_parameters     90
_refine_ls_number_reflns         2344
_refine_ls_number_restraints     0
_refine_ls_shift/esd_max         0.009
_refine_ls_shift/esd_mean        0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_cod_data_source_file            c0dt00705f.txt
_cod_data_source_block           compound_1[AuCl4]Cl
_cod_original_sg_symbol_Hall     'A 2 -2c'
_cod_original_sg_symbol_H-M      'A b m 2'
_cod_database_code               7702880
_diffrn_reflns_number_total      16357
_diffrn_reflns_number_independent 2344
_r_int                           0.0673
_total_number_of_frames          2760
_time_per_frame_seconds          25
_frame_width_degrees             0.45
_detector_sample_distance_cm     6.00
_refine_ls_r2_factor_all         0.095
_refine_ls_r2_factor_obs         0.095
_refine_ls_wr2_factor_obs        0.132
_refine_ls_r1_factor_(i>2\s(i))  0.056
_reflections_with_i>2\s(i)       1377
_refine_diff_density_esd         1.344