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### ###
### Electronic paper (Acta Crystallographica Section E) ###
### ###
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# #
# This CIF contains the data in a paper accepted for publication in Acta #
# Crystallographica Section E. It conforms to the requirements of Notes #
# for Authors for Section E, and has been peer reviewed under the auspices #
# of the IUCr Commission on Journals. #
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# Full details of the Crystallographic Information File format #
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# a New Standard Archive File for Crystallography" by S. R. Hall, F. H. #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685]. #
# #
# The current version of the core CIF dictionary is obtainable from #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.4. #
# #
# Software is freely available for graphical display of the structure(s) in #
# this CIF. For information consult the CIF home page http://www.iucr.org/ #
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data_I
_audit_creation_method SHELXL-97
_chemical_name_systematic
;
1,3-Dimesitylimidazolidinium tetrachloridogold(III) dichloromethane solvate
;
_chemical_name_common 'work'
_chemical_formula_moiety 'C21 H27 N2 +, Au Cl4 -, C H2 Cl2'
_chemical_formula_sum 'C22 H29 Au Cl6 N2'
_chemical_formula_iupac '(C21 H27 N2) [Au Cl4], C H2 Cl2'
_chemical_formula_weight 731.14
_chemical_melting_point ?
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/c'
_symmetry_space_group_name_Hall '-P 2ybc'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
_cell_length_a 19.590(3)
_cell_length_b 8.9986(13)
_cell_length_c 15.306(2)
_cell_angle_alpha 90.00
_cell_angle_beta 96.601(2)
_cell_angle_gamma 90.00
_cell_volume 2680.4(7)
_cell_formula_units_Z 4
_cell_measurement_reflns_used 3906
_cell_measurement_theta_min 2.494
_cell_measurement_theta_max 27.580
_cell_measurement_temperature 100(2)
_exptl_crystal_description 'plate'
_exptl_crystal_colour 'orange'
_exptl_crystal_size_max 0.30
_exptl_crystal_size_mid 0.25
_exptl_crystal_size_min 0.10
_exptl_crystal_density_diffrn 1.812
_exptl_crystal_density_meas ?
_exptl_crystal_density_method 'not measured'
_exptl_crystal_F_000 1424
_exptl_absorpt_coefficient_mu 6.100
_exptl_absorpt_correction_type 'multi-scan'
_exptl_absorpt_process_details '(SADABS; Sheldrick, 1997)'
_exptl_absorpt_correction_T_min 0.1462
_exptl_absorpt_correction_T_max 0.5458
_exptl_special_details
;
;
_diffrn_ambient_temperature 100(2)
_diffrn_radiation_type MoK\a
_diffrn_radiation_wavelength 0.71073
_diffrn_radiation_source 'fine-focus sealed tube'
_diffrn_radiation_monochromator 'graphite'
_diffrn_measurement_device_type 'Bruker APEX CCD area-detector'
_diffrn_measurement_method \w
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number 15546
_diffrn_reflns_av_R_equivalents 0.0942
_diffrn_reflns_av_sigmaI/netI 0.0995
_diffrn_reflns_theta_min 2.09
_diffrn_reflns_theta_max 28.30
_diffrn_reflns_theta_full 26.50
_diffrn_measured_fraction_theta_max 0.912
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_limit_h_min -21
_diffrn_reflns_limit_h_max 25
_diffrn_reflns_limit_k_min -9
_diffrn_reflns_limit_k_max 11
_diffrn_reflns_limit_l_min -19
_diffrn_reflns_limit_l_max 19
_diffrn_standards_number ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time ?
_diffrn_standards_decay_% ?
_refine_special_details
;
Refinement of F^2^ against ALL reflections. The weighted
R-factor wR and goodness of fit S are based
on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^.
The threshold expression of F^2^ > \s(F^2^) is used
only for calculating R-factors(gt) etc. and is not
relevant to the choice of reflections for refinement. R-factors
based on F^2^ are statistically about twice as large as those
based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total 6083
_reflns_number_gt 4516
_reflns_threshold_expression I>2\s(I)
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type full
_refine_ls_R_factor_all 0.0645
_refine_ls_R_factor_gt 0.0445
_refine_ls_wR_factor_gt 0.0824
_refine_ls_wR_factor_ref 0.0865
_refine_ls_goodness_of_fit_ref 0.913
_refine_ls_restrained_S_all 0.913
_refine_ls_number_reflns 6083
_refine_ls_number_parameters 286
_refine_ls_number_restraints 0
_refine_ls_hydrogen_treatment constr
_refine_ls_weighting_scheme calc
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0211P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_hydrogens geom
_atom_sites_solution_primary direct
_atom_sites_solution_secondary difmap
_refine_ls_shift/su_max 0.002
_refine_ls_shift/su_mean 0.000
_refine_diff_density_max 2.120
_refine_diff_density_min -2.241
_refine_ls_extinction_method none
_refine_ls_extinction_coef ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
'C' 'C' 0.0033 0.0016
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'H' 'H' 0.0000 0.0000
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'N' 'N' 0.0061 0.0033
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Cl' 'Cl' 0.1484 0.1585
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
'Au' 'Au' -2.0133 8.8022
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection 'SMART (Bruker, 2001)'
_computing_cell_refinement 'SAINT (Bruker, 2002)'
_computing_data_reduction 'SAINT (Bruker, 2002)'
_computing_structure_solution 'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement 'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics 'X-SEED (Barbour, 2001)'
_computing_publication_material 'X-SEED (Barbour, 2001)'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.816928(12) 0.61599(3) 0.706473(15) 0.01554(8) Uani d . 1 . .
Cl Cl1 0.90506(8) 0.57587(17) 0.62476(10) 0.0221(4) Uani d . 1 . .
Cl Cl2 0.86227(8) 0.84160(17) 0.74770(10) 0.0229(4) Uani d . 1 . .
Cl Cl3 0.72796(8) 0.65262(18) 0.78862(11) 0.0240(4) Uani d . 1 . .
Cl Cl4 0.76938(8) 0.39359(17) 0.65952(10) 0.0220(3) Uani d . 1 . .
C C5 0.8618(3) 0.1217(7) 0.3991(4) 0.0168(13) Uani d . 1 . .
C C6 0.9177(3) 0.1185(7) 0.3509(4) 0.0184(13) Uani d . 1 . .
C C7 0.9615(3) -0.0040(7) 0.3640(4) 0.0179(14) Uani d . 1 . .
H H7 0.9997 -0.0101 0.3311 0.022 Uiso calc R 1 . .
C C8 0.9517(3) -0.1156(7) 0.4218(4) 0.0223(14) Uani d . 1 . .
C C9 0.8956(3) -0.1060(7) 0.4701(4) 0.0234(15) Uani d . 1 . .
H H9 0.8881 -0.1829 0.5106 0.028 Uiso calc R 1 . .
C C10 0.8503(3) 0.0132(7) 0.4605(4) 0.0222(15) Uani d . 1 . .
C C11 0.7906(3) 0.0228(8) 0.5168(4) 0.0259(16) Uani d . 1 . .
H H11C 0.7899 0.1217 0.5434 0.039 Uiso calc R 1 . .
H H11A 0.7965 -0.0526 0.5632 0.039 Uiso calc R 1 . .
H H11B 0.7471 0.0055 0.4796 0.039 Uiso calc R 1 . .
C C12 0.9314(3) 0.2390(7) 0.2867(4) 0.0228(15) Uani d . 1 . .
H H12C 0.8938 0.2418 0.2386 0.034 Uiso calc R 1 . .
H H12A 0.9747 0.2184 0.2628 0.034 Uiso calc R 1 . .
H H12B 0.9345 0.3352 0.3169 0.034 Uiso calc R 1 . .
C C13 0.9994(4) -0.2463(8) 0.4345(4) 0.0299(17) Uani d . 1 . .
H H13B 0.9829 -0.3258 0.3937 0.045 Uiso calc R 1 . .
H H13C 1.0010 -0.2824 0.4952 0.045 Uiso calc R 1 . .
H H13A 1.0456 -0.2161 0.4231 0.045 Uiso calc R 1 . .
N N14 0.8162(3) 0.2491(6) 0.3895(3) 0.0171(12) Uani d . 1 . .
C C15 0.7516(3) 0.2431(7) 0.3605(4) 0.0161(13) Uani d . 1 . .
H H15 0.7305 0.1576 0.3327 0.019 Uiso calc R 1 . .
N N16 0.7176(3) 0.3665(5) 0.3729(3) 0.0168(11) Uani d . 1 . .
C C17 0.7660(3) 0.4782(7) 0.4162(4) 0.0170(14) Uani d . 1 . .
H H17A 0.7505 0.5136 0.4719 0.020 Uiso calc R 1 . .
H H17B 0.7707 0.5644 0.3772 0.020 Uiso calc R 1 . .
C C18 0.8333(3) 0.3929(7) 0.4333(4) 0.0210(14) Uani d . 1 . .
H H18A 0.8707 0.4441 0.4069 0.025 Uiso calc R 1 . .
H H18B 0.8471 0.3795 0.4971 0.025 Uiso calc R 1 . .
C C19 0.6464(3) 0.4010(7) 0.3447(4) 0.0165(13) Uani d . 1 . .
C C20 0.5985(3) 0.3755(7) 0.4036(4) 0.0207(14) Uani d . 1 . .
C C21 0.5323(3) 0.4244(7) 0.3781(4) 0.0191(14) Uani d . 1 . .
H H21 0.4983 0.4097 0.4168 0.023 Uiso calc R 1 . .
C C22 0.5134(3) 0.4949(7) 0.2971(4) 0.0209(15) Uani d . 1 . .
C C23 0.5620(3) 0.5118(7) 0.2400(4) 0.0210(15) Uani d . 1 . .
H H23 0.5492 0.5574 0.1845 0.025 Uiso calc R 1 . .
C C24 0.6297(3) 0.4639(7) 0.2613(4) 0.0202(15) Uani d . 1 . .
C C25 0.6811(3) 0.4777(7) 0.1960(4) 0.0230(15) Uani d . 1 . .
H H25C 0.7222 0.5291 0.2236 0.034 Uiso calc R 1 . .
H H25B 0.6609 0.5347 0.1449 0.034 Uiso calc R 1 . .
H H25A 0.6938 0.3785 0.1771 0.034 Uiso calc R 1 . .
C C26 0.6168(4) 0.2988(8) 0.4893(4) 0.0303(17) Uani d . 1 . .
H H26C 0.5780 0.3048 0.5243 0.045 Uiso calc R 1 . .
H H26B 0.6571 0.3467 0.5212 0.045 Uiso calc R 1 . .
H H26A 0.6272 0.1942 0.4787 0.045 Uiso calc R 1 . .
C C27 0.4414(3) 0.5523(9) 0.2740(5) 0.0317(18) Uani d . 1 . .
H H27C 0.4317 0.5619 0.2100 0.048 Uiso calc R 1 . .
H H27A 0.4369 0.6496 0.3015 0.048 Uiso calc R 1 . .
H H27B 0.4087 0.4826 0.2955 0.048 Uiso calc R 1 . .
C C28 0.6210(4) 0.7360(8) 0.9489(4) 0.0303(17) Uani d . 1 . .
H H28B 0.6054 0.8168 0.9075 0.036 Uiso calc R 1 . .
H H28A 0.6592 0.6833 0.9251 0.036 Uiso calc R 1 . .
Cl Cl29 0.65120(9) 0.8137(2) 1.05262(12) 0.0335(4) Uani d . 1 . .
Cl Cl30 0.55384(12) 0.6129(3) 0.95642(15) 0.0580(6) Uani d . 1 . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Au1 0.01694(12) 0.01813(12) 0.01117(12) -0.00007(12) 0.00005(8) 0.00093(11)
Cl1 0.0243(8) 0.0229(8) 0.0202(8) -0.0012(7) 0.0073(7) -0.0006(6)
Cl2 0.0252(9) 0.0197(8) 0.0236(9) -0.0021(7) 0.0019(7) -0.0038(6)
Cl3 0.0232(8) 0.0241(9) 0.0263(9) 0.0015(7) 0.0089(7) 0.0007(7)
Cl4 0.0268(8) 0.0220(8) 0.0167(8) -0.0060(7) 0.0004(6) -0.0012(7)
C5 0.019(3) 0.019(3) 0.010(3) -0.002(3) -0.004(2) -0.002(3)
C6 0.014(3) 0.027(4) 0.014(3) -0.002(3) -0.002(2) -0.008(3)
C7 0.011(3) 0.028(4) 0.015(3) 0.004(3) 0.002(3) -0.009(3)
C8 0.032(4) 0.024(3) 0.010(3) 0.007(3) -0.003(3) -0.004(3)
C9 0.029(4) 0.024(4) 0.017(3) -0.003(3) 0.001(3) -0.001(3)
C10 0.024(4) 0.027(4) 0.015(4) 0.000(3) -0.004(3) 0.001(3)
C11 0.027(4) 0.031(4) 0.020(4) 0.006(3) 0.006(3) 0.007(3)
C12 0.015(3) 0.027(4) 0.027(4) 0.001(3) 0.005(3) 0.002(3)
C13 0.036(4) 0.039(4) 0.014(4) 0.013(4) -0.003(3) -0.003(3)
N14 0.014(3) 0.025(3) 0.012(3) 0.001(2) 0.000(2) -0.002(2)
C15 0.021(3) 0.019(3) 0.008(3) -0.005(3) 0.002(3) 0.006(2)
N16 0.017(3) 0.015(3) 0.018(3) 0.000(2) 0.002(2) -0.004(2)
C17 0.015(3) 0.017(3) 0.017(3) -0.002(3) -0.004(3) -0.003(3)
C18 0.013(3) 0.025(4) 0.025(3) -0.007(3) 0.002(3) -0.006(3)
C19 0.018(3) 0.014(3) 0.017(3) 0.003(3) 0.001(3) 0.001(3)
C20 0.025(3) 0.019(3) 0.018(3) -0.003(3) 0.003(3) -0.004(3)
C21 0.017(3) 0.024(4) 0.017(3) -0.006(3) 0.004(3) 0.000(3)
C22 0.011(3) 0.025(4) 0.026(4) -0.002(3) 0.000(3) -0.001(3)
C23 0.022(4) 0.023(4) 0.018(4) 0.008(3) -0.002(3) 0.000(3)
C24 0.021(4) 0.020(3) 0.019(4) -0.004(3) 0.001(3) -0.004(3)
C25 0.026(4) 0.028(4) 0.016(4) 0.003(3) 0.006(3) -0.001(3)
C26 0.030(4) 0.035(4) 0.026(4) -0.006(3) 0.002(3) 0.004(3)
C27 0.020(4) 0.049(5) 0.026(4) 0.006(4) 0.005(3) 0.006(4)
C28 0.039(4) 0.032(4) 0.020(4) 0.004(4) 0.005(3) 0.004(3)
Cl29 0.0332(10) 0.0352(10) 0.0312(10) -0.0055(9) 0.0001(8) 0.0011(8)
Cl30 0.0640(15) 0.0613(15) 0.0492(13) -0.0310(13) 0.0087(11) -0.0151(12)
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s.
planes) are estimated using the full covariance matrix. The cell e.s.d.'s
are taken into account individually in the estimation of e.s.d.'s in
distances, angles and torsion angles; correlations between e.s.d.'s in
cell parameters are only used when they are defined by crystal symmetry.
An approximate (isotropic) treatment of cell e.s.d.'s is used for
estimating e.s.d.'s involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 Cl1 . 2.2742(16) ?
Au1 Cl2 . 2.2759(16) ?
Au1 Cl3 . 2.2872(16) ?
Au1 Cl4 . 2.2881(16) ?
C5 C6 . 1.390(8) ?
C5 C10 . 1.391(8) ?
C5 N14 . 1.449(8) ?
C6 C7 . 1.397(8) ?
C6 C12 . 1.508(8) ?
C7 C8 . 1.367(9) ?
C7 H7 . 0.9500 ?
C8 C9 . 1.397(9) ?
C8 C13 . 1.501(9) ?
C9 C10 . 1.389(9) ?
C9 H9 . 0.9500 ?
C10 C11 . 1.533(9) ?
C11 H11C . 0.9800 ?
C11 H11A . 0.9800 ?
C11 H11B . 0.9800 ?
C12 H12C . 0.9800 ?
C12 H12A . 0.9800 ?
C12 H12B . 0.9800 ?
C13 H13B . 0.9800 ?
C13 H13C . 0.9800 ?
C13 H13A . 0.9800 ?
N14 C15 . 1.294(7) ?
N14 C18 . 1.478(8) ?
C15 N16 . 1.320(8) ?
C15 H15 . 0.9500 ?
N16 C19 . 1.446(7) ?
N16 C17 . 1.484(7) ?
C17 C18 . 1.523(8) ?
C17 H17A . 0.9900 ?
C17 H17B . 0.9900 ?
C18 H18A . 0.9900 ?
C18 H18B . 0.9900 ?
C19 C20 . 1.392(9) ?
C19 C24 . 1.401(8) ?
C20 C21 . 1.383(9) ?
C20 C26 . 1.489(9) ?
C21 C22 . 1.404(9) ?
C21 H21 . 0.9500 ?
C22 C23 . 1.373(9) ?
C22 C27 . 1.505(8) ?
C23 C24 . 1.397(8) ?
C23 H23 . 0.9500 ?
C24 C25 . 1.503(9) ?
C25 H25C . 0.9800 ?
C25 H25B . 0.9800 ?
C25 H25A . 0.9800 ?
C26 H26C . 0.9800 ?
C26 H26B . 0.9800 ?
C26 H26A . 0.9800 ?
C27 H27C . 0.9800 ?
C27 H27A . 0.9800 ?
C27 H27B . 0.9800 ?
C28 Cl30 . 1.734(7) ?
C28 Cl29 . 1.773(7) ?
C28 H28B . 0.9900 ?
C28 H28A . 0.9900 ?
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl1 Au1 Cl2 . . 89.85(6) ?
Cl1 Au1 Cl3 . . 179.15(6) ?
Cl2 Au1 Cl3 . . 90.96(6) ?
Cl1 Au1 Cl4 . . 89.76(6) ?
Cl2 Au1 Cl4 . . 177.57(6) ?
Cl3 Au1 Cl4 . . 89.44(6) ?
C6 C5 C10 . . 122.8(6) ?
C6 C5 N14 . . 118.4(5) ?
C10 C5 N14 . . 118.6(6) ?
C5 C6 C7 . . 116.7(6) ?
C5 C6 C12 . . 122.7(6) ?
C7 C6 C12 . . 120.6(6) ?
C8 C7 C6 . . 122.9(6) ?
C8 C7 H7 . . 118.6 ?
C6 C7 H7 . . 118.6 ?
C7 C8 C9 . . 118.4(6) ?
C7 C8 C13 . . 121.9(6) ?
C9 C8 C13 . . 119.7(6) ?
C10 C9 C8 . . 121.5(6) ?
C10 C9 H9 . . 119.2 ?
C8 C9 H9 . . 119.2 ?
C9 C10 C5 . . 117.7(6) ?
C9 C10 C11 . . 120.2(6) ?
C5 C10 C11 . . 122.2(6) ?
C10 C11 H11C . . 109.5 ?
C10 C11 H11A . . 109.5 ?
H11C C11 H11A . . 109.5 ?
C10 C11 H11B . . 109.5 ?
H11C C11 H11B . . 109.5 ?
H11A C11 H11B . . 109.5 ?
C6 C12 H12C . . 109.5 ?
C6 C12 H12A . . 109.5 ?
H12C C12 H12A . . 109.5 ?
C6 C12 H12B . . 109.5 ?
H12C C12 H12B . . 109.5 ?
H12A C12 H12B . . 109.5 ?
C8 C13 H13B . . 109.5 ?
C8 C13 H13C . . 109.5 ?
H13B C13 H13C . . 109.5 ?
C8 C13 H13A . . 109.5 ?
H13B C13 H13A . . 109.5 ?
H13C C13 H13A . . 109.5 ?
C15 N14 C5 . . 124.6(5) ?
C15 N14 C18 . . 110.7(5) ?
C5 N14 C18 . . 122.8(5) ?
N14 C15 N16 . . 113.9(6) ?
N14 C15 H15 . . 123.0 ?
N16 C15 H15 . . 123.0 ?
C15 N16 C19 . . 128.6(5) ?
C15 N16 C17 . . 109.1(5) ?
C19 N16 C17 . . 122.2(5) ?
N16 C17 C18 . . 103.4(5) ?
N16 C17 H17A . . 111.1 ?
C18 C17 H17A . . 111.1 ?
N16 C17 H17B . . 111.1 ?
C18 C17 H17B . . 111.1 ?
H17A C17 H17B . . 109.1 ?
N14 C18 C17 . . 102.5(4) ?
N14 C18 H18A . . 111.3 ?
C17 C18 H18A . . 111.3 ?
N14 C18 H18B . . 111.3 ?
C17 C18 H18B . . 111.3 ?
H18A C18 H18B . . 109.2 ?
C20 C19 C24 . . 123.6(6) ?
C20 C19 N16 . . 118.1(5) ?
C24 C19 N16 . . 118.3(5) ?
C21 C20 C19 . . 116.4(6) ?
C21 C20 C26 . . 121.3(6) ?
C19 C20 C26 . . 122.4(6) ?
C20 C21 C22 . . 122.5(6) ?
C20 C21 H21 . . 118.7 ?
C22 C21 H21 . . 118.7 ?
C23 C22 C21 . . 118.7(6) ?
C23 C22 C27 . . 120.8(6) ?
C21 C22 C27 . . 120.5(6) ?
C22 C23 C24 . . 121.8(6) ?
C22 C23 H23 . . 119.1 ?
C24 C23 H23 . . 119.1 ?
C23 C24 C19 . . 116.9(6) ?
C23 C24 C25 . . 120.7(6) ?
C19 C24 C25 . . 122.4(6) ?
C24 C25 H25C . . 109.5 ?
C24 C25 H25B . . 109.5 ?
H25C C25 H25B . . 109.5 ?
C24 C25 H25A . . 109.5 ?
H25C C25 H25A . . 109.5 ?
H25B C25 H25A . . 109.5 ?
C20 C26 H26C . . 109.5 ?
C20 C26 H26B . . 109.5 ?
H26C C26 H26B . . 109.5 ?
C20 C26 H26A . . 109.5 ?
H26C C26 H26A . . 109.5 ?
H26B C26 H26A . . 109.5 ?
C22 C27 H27C . . 109.5 ?
C22 C27 H27A . . 109.5 ?
H27C C27 H27A . . 109.5 ?
C22 C27 H27B . . 109.5 ?
H27C C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
Cl30 C28 Cl29 . . 111.7(4) ?
Cl30 C28 H28B . . 109.3 ?
Cl29 C28 H28B . . 109.3 ?
Cl30 C28 H28A . . 109.3 ?
Cl29 C28 H28A . . 109.3 ?
H28B C28 H28A . . 107.9 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C10 C5 C6 C7 . . . . 2.7(9) ?
N14 C5 C6 C7 . . . . 178.1(5) ?
C10 C5 C6 C12 . . . . -177.8(6) ?
N14 C5 C6 C12 . . . . -2.4(8) ?
C5 C6 C7 C8 . . . . -1.1(9) ?
C12 C6 C7 C8 . . . . 179.4(6) ?
C6 C7 C8 C9 . . . . -0.2(9) ?
C6 C7 C8 C13 . . . . 179.9(6) ?
C7 C8 C9 C10 . . . . -0.1(9) ?
C13 C8 C9 C10 . . . . 179.9(6) ?
C8 C9 C10 C5 . . . . 1.6(9) ?
C8 C9 C10 C11 . . . . -177.9(6) ?
C6 C5 C10 C9 . . . . -3.0(9) ?
N14 C5 C10 C9 . . . . -178.4(5) ?
C6 C5 C10 C11 . . . . 176.6(6) ?
N14 C5 C10 C11 . . . . 1.1(9) ?
C6 C5 N14 C15 . . . . 118.6(7) ?
C10 C5 N14 C15 . . . . -65.8(8) ?
C6 C5 N14 C18 . . . . -78.2(7) ?
C10 C5 N14 C18 . . . . 97.4(7) ?
C5 N14 C15 N16 . . . . 167.8(5) ?
C18 N14 C15 N16 . . . . 2.9(7) ?
N14 C15 N16 C19 . . . . 176.4(6) ?
N14 C15 N16 C17 . . . . 1.0(7) ?
C15 N16 C17 C18 . . . . -4.3(6) ?
C19 N16 C17 C18 . . . . -180.0(5) ?
C15 N14 C18 C17 . . . . -5.3(7) ?
C5 N14 C18 C17 . . . . -170.6(5) ?
N16 C17 C18 N14 . . . . 5.5(6) ?
C15 N16 C19 C20 . . . . 94.1(8) ?
C17 N16 C19 C20 . . . . -91.1(7) ?
C15 N16 C19 C24 . . . . -88.5(8) ?
C17 N16 C19 C24 . . . . 86.3(7) ?
C24 C19 C20 C21 . . . . -3.9(9) ?
N16 C19 C20 C21 . . . . 173.3(5) ?
C24 C19 C20 C26 . . . . 175.6(6) ?
N16 C19 C20 C26 . . . . -7.2(9) ?
C19 C20 C21 C22 . . . . 0.6(9) ?
C26 C20 C21 C22 . . . . -178.9(6) ?
C20 C21 C22 C23 . . . . 2.0(10) ?
C20 C21 C22 C27 . . . . -177.2(6) ?
C21 C22 C23 C24 . . . . -1.4(10) ?
C27 C22 C23 C24 . . . . 177.8(6) ?
C22 C23 C24 C19 . . . . -1.6(9) ?
C22 C23 C24 C25 . . . . 177.3(6) ?
C20 C19 C24 C23 . . . . 4.5(9) ?
N16 C19 C24 C23 . . . . -172.8(5) ?
C20 C19 C24 C25 . . . . -174.5(6) ?
N16 C19 C24 C25 . . . . 8.3(9) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C9 H9 Cl1 1_545 0.95 2.78 3.706(6) 164
C12 H12C Cl4 4_565 0.98 2.87 3.724(6) 147
C15 H15 Cl3 4_565 0.95 2.87 3.740(7) 152
C15 H15 Cl4 4_565 0.95 2.88 3.368(6) 113
C17 H17A Cl4 1_555 0.99 3.05 3.794(6) 133
C17 H17B Cl2 4_575 0.99 2.95 3.736(6) 137
C17 H17B Cl3 4_575 0.99 2.96 3.882(6) 155
C18 H18B Cl1 1_555 0.99 2.78 3.511(6) 131
C25 H25A Cl4 4_565 0.98 2.89 3.832(6) 162
C25 H25B Cl29 1_554 0.98 2.88 3.742(7) 148
C25 H25C Cl2 4_575 0.98 2.97 3.901(6) 160
C25 H25C Cl3 4_575 0.98 3.03 3.691(6) 126
C26 H26B Cl4 1_555 0.98 2.90 3.829(7) 158
C27 H27C Cl30 3_666 0.98 3.04 3.838(8) 140
C28 H28A Cl3 1_555 0.99 2.63 3.486(7) 145
data_global
_journal_data_validation_number ?
_journal_date_recd_electronic 2008-09-08
_journal_date_accepted 2008-09-26
_journal_name_full 'Acta Crystallographica, Section E'
_journal_year 2008
_journal_volume 64
_journal_issue 11
_journal_page_first m1357
_journal_page_last m1357
_journal_paper_category QM
_journal_coeditor_code HK2528
_publ_contact_author_name 'Liliana Dobrza\'nska'
_publ_contact_author_address
;
Department of Chemistry,
University of Stellenbosch,
Private Bag X1, Matieland 7602,
South Africa
;
_publ_contact_author_email lianger@sun.ac.za
_publ_contact_author_fax '+27 21 808 3849'
_publ_contact_author_phone '+27 21 808 3339'
_publ_section_title
;
1,3-Dimesitylimidazolidinium tetrachloridogold(III) dichloromethane solvate
;
loop_
_publ_author_name
_publ_author_address
'Tesfamariam K. Hagos'
;
Department of Chemistry,
University of Stellenbosch,
Private Bag X1, Matieland,
South Africa
;
'Stefan D. Nogai'
;
Department of Chemistry,
University of Stellenbosch,
Private Bag X1, Matieland,
South Africa
;
'Liliana Dobrza\'nska'
;
Department of Chemistry,
University of Stellenbosch,
Private Bag X1, Matieland,
South Africa
;
'Stephanie Cronje'
;
Department of Chemistry,
University of Stellenbosch,
Private Bag X1, Matieland,
South Africa
;