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_7702881
_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 H15 Cl Hg N2'
_chemical_formula_weight         495.38
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             10-01-20
_audit_creation_method           'from The Personal SDP version 2.1.1'
_cell_angle_alpha                90
_cell_angle_beta                 116.039(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   15.1595(12)
_cell_length_b                   15.3382(12)
_cell_length_c                   15.9166(13)
_cell_measurement_reflns_used    5328
_cell_measurement_temperature    296
_cell_measurement_theta_max      24
_cell_measurement_theta_min      3
_cell_volume                     3325.3(5)
_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 0.974
_diffrn_measured_fraction_theta_max 0.943
_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       18
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_reduction_process SAINT
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_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0.00
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_exptl_absorpt_coefficient_mu    9.415
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.461
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   ' SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_description       prism
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.410
_exptl_crystal_size_mid          0.270
_exptl_crystal_size_min          0.140
_refine_diff_density_max         2.194
_refine_diff_density_min         -1.241
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_refine_ls_goodness_of_fit_obs   1.016
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
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_refine_ls_number_reflns         4637
_refine_ls_number_restraints     0
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_refine_ls_R_factor_obs          0.081
_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
_refine_ls_wR_factor_obs         0.128
_cod_data_source_file            c0dt00705f.txt
_cod_data_source_block           compound_2
_cod_original_cell_volume        3325.2(5)
_cod_database_code               7702881
_diffrn_reflns_number_total      46165
_diffrn_reflns_number_independent 4637
_r_int                           0.0442
_total_number_of_frames          3240
_time_per_frame_seconds          20
_frame_width_degrees             0.50
_detector_sample_distance_cm     6.00
_conventional_r1_(i>2\s(i))      0.043
_reflections_with_i>2\s(i)       2230
_refine_diff_density_esd         1.007