# Supplementary Material (ESI) for Chemical Communications
# This journal is © The Royal Society of Chemistry 2005

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Prof Vivian Yam'
_publ_contact_author_address     
;
Department of Chemistry
The University of Hong Kong
Pokfulam Road
Hong Kong
;

_publ_contact_author_email       WWYAM@HKU.HK

_publ_section_title              
;
A novel class of phosphorescent gold(III)
alkynyl-based organic light emitting devices with tunable colour
;
loop_
_publ_author_name
'Vivian Yam'
'Ling-Ling Hung'
'Hoi-Sing Kwok'
'Keith Man-Chung Wong'
;
Nianyong Zhu
;
'Xiuling Zhu'

data_mar1324
_database_code_depnum_ccdc_archive 'CCDC 262037'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C38 H27 Au Cl2 N2'
_chemical_formula_sum            'C38 H27 Au Cl2 N2'
_chemical_formula_weight         779.48

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 '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'
C C 0.0033 0.0016 '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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.052(2)
_cell_length_b                   10.463(2)
_cell_length_c                   16.117(3)
_cell_angle_alpha                82.04(3)
_cell_angle_beta                 84.82(3)
_cell_angle_gamma                66.02(3)
_cell_volume                     1532.8(5)
_cell_formula_units_Z            2
_cell_measurement_temperature    301(2)
_cell_measurement_reflns_used    0
_cell_measurement_theta_min      0
_cell_measurement_theta_max      0

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.689
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             764
_exptl_absorpt_coefficient_mu    5.004
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      301(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'marresearch IPDS mar300'
_diffrn_measurement_method       Oscillation
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            7423
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_sigmaI/netI    0.0949
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.37
_diffrn_reflns_theta_max         25.35
_reflns_number_total             4772
_reflns_number_gt                3751
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       Marcontrol
_computing_cell_refinement       Scalepack
_computing_data_reduction        Denzo
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'

_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^ > 2sigma(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.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0354P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4772
_refine_ls_number_parameters     388
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0460
_refine_ls_wR_factor_ref         0.1086
_refine_ls_wR_factor_gt          0.1069
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_restrained_S_all      0.985
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.18707(3) 0.07109(3) 0.06502(2) 0.05232(15) Uani 1 1 d . . .
N1 N 0.2757(6) -0.0298(7) -0.0368(4) 0.0532(17) Uani 1 1 d . . .
N2 N -0.3565(7) 0.6421(6) 0.4309(5) 0.0613(18) Uani 1 1 d . . .
C1 C 0.2951(8) 0.1960(8) 0.0095(6) 0.061(2) Uani 1 1 d . . .
C2 C 0.3107(10) 0.3084(9) 0.0367(8) 0.078(3) Uani 1 1 d . . .
H2 H 0.2643 0.3424 0.0865 0.094 Uiso 1 1 calc R . .
C3 C 0.3940(13) 0.3696(12) -0.0094(11) 0.102(4) Uani 1 1 d . . .
H3 H 0.4027 0.4462 0.0089 0.122 Uiso 1 1 calc R . .
C4 C 0.4670(12) 0.3188(13) -0.0841(11) 0.106(5) Uani 1 1 d . . .
H4 H 0.5231 0.3616 -0.1155 0.127 Uiso 1 1 calc R . .
C5 C 0.4546(10) 0.2106(12) -0.1086(7) 0.080(3) Uani 1 1 d . . .
H5 H 0.5065 0.1751 -0.1568 0.096 Uiso 1 1 calc R . .
C6 C 0.3685(8) 0.1460(9) -0.0667(6) 0.062(2) Uani 1 1 d . . .
C7 C 0.3513(8) 0.0252(10) -0.0925(6) 0.065(2) Uani 1 1 d . . .
C8 C 0.3999(11) -0.0367(12) -0.1661(7) 0.085(3) Uani 1 1 d . . .
H8 H 0.4566 -0.0041 -0.2049 0.101 Uiso 1 1 calc R . .
C9 C 0.3674(13) -0.1426(13) -0.1829(8) 0.098(4) Uani 1 1 d . . .
H9 H 0.3948 -0.1779 -0.2345 0.118 Uiso 1 1 calc R . .
C10 C 0.2908(11) -0.2003(11) -0.1215(8) 0.091(4) Uani 1 1 d . . .
H10 H 0.2731 -0.2774 -0.1313 0.109 Uiso 1 1 calc R . .
C11 C 0.2424(9) -0.1409(9) -0.0465(6) 0.063(2) Uani 1 1 d . . .
C12 C 0.1593(8) -0.1756(8) 0.0240(7) 0.065(3) Uani 1 1 d . . .
C13 C 0.1211(11) -0.2934(10) 0.0314(9) 0.085(3) Uani 1 1 d . . .
H13 H 0.1473 -0.3494 -0.0123 0.102 Uiso 1 1 calc R . .
C14 C 0.0502(13) -0.3263(12) 0.0976(10) 0.092(3) Uani 1 1 d . . .
H14 H 0.0287 -0.4052 0.1000 0.110 Uiso 1 1 calc R . .
C15 C 0.0073(12) -0.2453(14) 0.1635(9) 0.099(4) Uani 1 1 d . . .
H15 H -0.0410 -0.2710 0.2105 0.119 Uiso 1 1 calc R . .
C16 C 0.0367(10) -0.1227(10) 0.1599(7) 0.073(3) Uani 1 1 d . . .
H16 H 0.0039 -0.0651 0.2029 0.088 Uiso 1 1 calc R . .
C17 C 0.1164(8) -0.0904(8) 0.0902(6) 0.061(2) Uani 1 1 d . . .
C18 C 0.0831(8) 0.1828(9) 0.1579(6) 0.061(2) Uani 1 1 d . . .
C19 C 0.0103(8) 0.2583(9) 0.2074(6) 0.056(2) Uani 1 1 d . . .
C20 C -0.0806(7) 0.3545(8) 0.2651(6) 0.0507(19) Uani 1 1 d . . .
C21 C -0.0878(8) 0.3153(8) 0.3500(6) 0.060(2) Uani 1 1 d . . .
H21 H -0.0311 0.2233 0.3710 0.073 Uiso 1 1 calc R . .
C22 C -0.1768(8) 0.4082(8) 0.4056(6) 0.0542(19) Uani 1 1 d . . .
H22 H -0.1794 0.3774 0.4624 0.065 Uiso 1 1 calc R . .
C23 C -0.2623(7) 0.5475(7) 0.3763(6) 0.051(2) Uani 1 1 d . . .
C24 C -0.2549(8) 0.5894(8) 0.2911(6) 0.056(2) Uani 1 1 d . . .
H24 H -0.3092 0.6822 0.2702 0.067 Uiso 1 1 calc R . .
C25 C -0.1657(8) 0.4926(8) 0.2358(6) 0.060(2) Uani 1 1 d . . .
H25 H -0.1639 0.5219 0.1787 0.072 Uiso 1 1 calc R . .
C26 C -0.3452(8) 0.6158(7) 0.5189(6) 0.054(2) Uani 1 1 d . . .
C27 C -0.2172(9) 0.5862(9) 0.5572(7) 0.069(3) Uani 1 1 d . . .
H27 H -0.1353 0.5840 0.5245 0.082 Uiso 1 1 calc R . .
C28 C -0.2083(11) 0.5600(10) 0.6427(8) 0.079(3) Uani 1 1 d . . .
H28 H -0.1202 0.5382 0.6672 0.094 Uiso 1 1 calc R . .
C29 C -0.3283(14) 0.5657(10) 0.6925(7) 0.082(3) Uani 1 1 d . . .
H29 H -0.3230 0.5478 0.7505 0.098 Uiso 1 1 calc R . .
C30 C -0.4613(12) 0.5998(10) 0.6527(7) 0.079(3) Uani 1 1 d . . .
H30 H -0.5451 0.6069 0.6849 0.095 Uiso 1 1 calc R . .
C31 C -0.4657(9) 0.6214(9) 0.5695(6) 0.064(2) Uani 1 1 d . . .
H31 H -0.5528 0.6410 0.5445 0.076 Uiso 1 1 calc R . .
C32 C -0.4679(7) 0.7739(8) 0.3965(5) 0.053(2) Uani 1 1 d . . .
C33 C -0.5768(9) 0.7762(10) 0.3496(7) 0.073(3) Uani 1 1 d . . .
H33 H -0.5828 0.6930 0.3402 0.088 Uiso 1 1 calc R . .
C34 C -0.6773(9) 0.9058(11) 0.3167(7) 0.078(3) Uani 1 1 d . . .
H34 H -0.7490 0.9088 0.2829 0.094 Uiso 1 1 calc R . .
C35 C -0.6737(10) 1.0271(11) 0.3323(7) 0.080(3) Uani 1 1 d . . .
H35 H -0.7439 1.1125 0.3105 0.096 Uiso 1 1 calc R . .
C36 C -0.5687(10) 1.0258(9) 0.3796(6) 0.074(3) Uani 1 1 d . . .
H36 H -0.5660 1.1097 0.3903 0.089 Uiso 1 1 calc R . .
C37 C -0.4644(9) 0.8969(8) 0.4121(6) 0.068(2) Uani 1 1 d . . .
H37 H -0.3919 0.8951 0.4448 0.081 Uiso 1 1 calc R . .
C38 C 0.058(4) 0.0461(18) 0.585(3) 0.59(6) Uani 1 1 d . . .
H38A H 0.0489 -0.0091 0.6369 0.710 Uiso 1 1 calc R . .
H38B H -0.0200 0.0563 0.5501 0.710 Uiso 1 1 calc R . .
Cl1 Cl 0.1963(8) -0.0376(7) 0.5425(6) 0.257(4) Uani 1 1 d . . .
Cl2 Cl 0.0281(9) 0.2094(6) 0.6086(5) 0.245(3) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.04509(19) 0.05026(19) 0.0518(2) -0.01540(14) -0.00348(13) -0.00561(13)
N1 0.045(3) 0.054(4) 0.048(5) -0.019(3) -0.002(3) -0.003(3)
N2 0.056(4) 0.051(4) 0.061(5) -0.014(3) -0.005(3) -0.002(3)
C1 0.050(4) 0.054(5) 0.071(7) -0.014(4) -0.011(4) -0.009(4)
C2 0.065(6) 0.058(5) 0.111(9) -0.006(5) -0.011(6) -0.025(5)
C3 0.072(7) 0.074(7) 0.155(14) 0.005(8) -0.038(8) -0.024(6)
C4 0.060(7) 0.087(8) 0.161(15) 0.039(9) -0.032(8) -0.030(6)
C5 0.057(6) 0.095(7) 0.073(8) 0.004(6) -0.004(5) -0.022(5)
C6 0.043(4) 0.068(5) 0.061(6) 0.004(4) -0.012(4) -0.010(4)
C7 0.042(4) 0.085(6) 0.045(6) -0.008(5) -0.004(4) 0.000(4)
C8 0.073(6) 0.102(8) 0.068(8) -0.026(6) 0.007(5) -0.020(6)
C9 0.087(8) 0.112(9) 0.065(8) -0.037(7) 0.005(6) 0.000(7)
C10 0.067(6) 0.074(6) 0.118(11) -0.049(7) -0.011(6) -0.001(5)
C11 0.047(5) 0.061(5) 0.066(7) -0.027(4) -0.012(4) 0.000(4)
C12 0.049(5) 0.046(5) 0.090(8) -0.018(4) -0.020(5) -0.003(4)
C13 0.070(6) 0.061(6) 0.114(11) -0.003(6) -0.034(6) -0.011(5)
C14 0.094(8) 0.072(7) 0.110(11) 0.004(7) -0.015(8) -0.036(6)
C15 0.075(7) 0.111(9) 0.105(11) 0.043(8) -0.021(7) -0.045(7)
C16 0.062(5) 0.076(6) 0.077(8) -0.006(5) -0.009(5) -0.023(5)
C17 0.047(4) 0.053(5) 0.075(7) -0.008(4) -0.011(4) -0.009(4)
C18 0.050(4) 0.069(5) 0.054(6) -0.010(4) -0.004(4) -0.011(4)
C19 0.044(4) 0.067(5) 0.050(5) -0.025(4) 0.002(4) -0.011(4)
C20 0.042(4) 0.052(4) 0.058(6) -0.021(4) 0.003(4) -0.016(3)
C21 0.050(5) 0.041(4) 0.076(7) -0.010(4) 0.005(4) -0.004(3)
C22 0.054(4) 0.053(4) 0.049(5) -0.013(4) 0.001(4) -0.013(4)
C23 0.041(4) 0.044(4) 0.065(6) -0.022(4) 0.005(4) -0.010(3)
C24 0.056(5) 0.048(4) 0.054(6) -0.009(4) 0.001(4) -0.011(3)
C25 0.056(5) 0.064(5) 0.054(6) -0.010(4) -0.001(4) -0.018(4)
C26 0.052(5) 0.041(4) 0.060(6) -0.013(4) -0.001(4) -0.008(3)
C27 0.055(5) 0.075(6) 0.075(8) -0.015(5) -0.010(5) -0.021(4)
C28 0.080(7) 0.075(6) 0.078(8) -0.019(5) -0.018(6) -0.023(5)
C29 0.123(9) 0.066(6) 0.057(7) -0.010(5) -0.008(7) -0.037(6)
C30 0.099(8) 0.076(6) 0.070(8) -0.025(5) 0.023(6) -0.043(6)
C31 0.059(5) 0.070(5) 0.063(7) -0.017(5) 0.005(5) -0.027(4)
C32 0.039(4) 0.052(4) 0.060(6) -0.014(4) 0.004(4) -0.010(3)
C33 0.051(5) 0.072(6) 0.086(8) -0.020(5) -0.006(5) -0.011(4)
C34 0.047(5) 0.096(7) 0.076(8) -0.018(6) -0.013(5) -0.008(5)
C35 0.066(6) 0.075(7) 0.067(7) 0.001(5) 0.001(5) 0.001(5)
C36 0.088(7) 0.053(5) 0.062(7) -0.008(4) 0.005(5) -0.010(5)
C37 0.070(5) 0.056(5) 0.065(7) -0.020(4) 0.007(5) -0.011(4)
C38 0.50(5) 0.084(11) 0.97(11) -0.03(2) 0.62(7) -0.027(19)
Cl1 0.232(7) 0.230(7) 0.362(11) -0.104(7) 0.116(7) -0.148(6)
Cl2 0.317(9) 0.164(5) 0.215(8) 0.014(4) -0.002(6) -0.069(5)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C18 1.977(9) . ?
Au1 N1 2.013(7) . ?
Au1 C17 2.064(9) . ?
Au1 C1 2.084(9) . ?
N1 C7 1.343(11) . ?
N1 C11 1.365(11) . ?
N2 C23 1.407(10) . ?
N2 C26 1.412(11) . ?
N2 C32 1.452(9) . ?
C1 C2 1.379(12) . ?
C1 C6 1.424(13) . ?
C2 C3 1.362(16) . ?
C3 C4 1.404(18) . ?
C4 C5 1.304(15) . ?
C5 C6 1.380(13) . ?
C6 C7 1.463(13) . ?
C7 C8 1.385(13) . ?
C8 C9 1.342(15) . ?
C9 C10 1.418(17) . ?
C10 C11 1.393(14) . ?
C11 C12 1.443(14) . ?
C12 C17 1.410(12) . ?
C12 C13 1.420(13) . ?
C13 C14 1.313(16) . ?
C14 C15 1.380(17) . ?
C15 C16 1.421(15) . ?
C16 C17 1.403(14) . ?
C18 C19 1.181(11) . ?
C19 C20 1.439(11) . ?
C20 C21 1.377(12) . ?
C20 C25 1.386(11) . ?
C21 C22 1.391(11) . ?
C22 C23 1.396(10) . ?
C23 C24 1.388(11) . ?
C24 C25 1.411(11) . ?
C26 C27 1.379(11) . ?
C26 C31 1.383(12) . ?
C27 C28 1.371(14) . ?
C28 C29 1.372(15) . ?
C29 C30 1.425(14) . ?
C30 C31 1.330(13) . ?
C32 C37 1.359(11) . ?
C32 C33 1.377(11) . ?
C33 C34 1.388(13) . ?
C34 C35 1.343(14) . ?
C35 C36 1.351(13) . ?
C36 C37 1.395(11) . ?
C38 Cl1 1.472(17) . ?
C38 Cl2 1.70(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C18 Au1 N1 174.2(3) . . ?
C18 Au1 C17 99.4(4) . . ?
N1 Au1 C17 81.2(3) . . ?
C18 Au1 C1 98.7(3) . . ?
N1 Au1 C1 80.9(3) . . ?
C17 Au1 C1 161.9(3) . . ?
C7 N1 C11 125.7(8) . . ?
C7 N1 Au1 117.3(6) . . ?
C11 N1 Au1 116.6(6) . . ?
C23 N2 C26 122.5(6) . . ?
C23 N2 C32 119.6(7) . . ?
C26 N2 C32 117.9(6) . . ?
C2 C1 C6 118.5(9) . . ?
C2 C1 Au1 130.9(8) . . ?
C6 C1 Au1 110.5(6) . . ?
C3 C2 C1 120.0(12) . . ?
C2 C3 C4 121.1(12) . . ?
C5 C4 C3 118.7(12) . . ?
C4 C5 C6 123.5(12) . . ?
C5 C6 C1 118.1(9) . . ?
C5 C6 C7 125.0(9) . . ?
C1 C6 C7 116.8(8) . . ?
N1 C7 C8 117.0(9) . . ?
N1 C7 C6 114.2(8) . . ?
C8 C7 C6 128.7(10) . . ?
C9 C8 C7 121.6(11) . . ?
C8 C9 C10 119.6(11) . . ?
C11 C10 C9 119.6(10) . . ?
N1 C11 C10 116.3(10) . . ?
N1 C11 C12 113.0(7) . . ?
C10 C11 C12 130.7(10) . . ?
C17 C12 C13 117.9(10) . . ?
C17 C12 C11 118.6(8) . . ?
C13 C12 C11 123.5(9) . . ?
C14 C13 C12 122.6(12) . . ?
C13 C14 C15 120.8(12) . . ?
C14 C15 C16 120.2(11) . . ?
C17 C16 C15 118.7(10) . . ?
C16 C17 C12 119.7(8) . . ?
C16 C17 Au1 130.0(7) . . ?
C12 C17 Au1 110.3(7) . . ?
C19 C18 Au1 173.0(8) . . ?
C18 C19 C20 177.8(10) . . ?
C21 C20 C25 117.4(7) . . ?
C21 C20 C19 122.6(7) . . ?
C25 C20 C19 120.0(8) . . ?
C20 C21 C22 122.5(7) . . ?
C21 C22 C23 120.3(8) . . ?
C24 C23 C22 118.1(7) . . ?
C24 C23 N2 120.6(7) . . ?
C22 C23 N2 121.3(8) . . ?
C23 C24 C25 120.6(7) . . ?
C20 C25 C24 121.2(8) . . ?
C27 C26 C31 117.9(9) . . ?
C27 C26 N2 122.2(8) . . ?
C31 C26 N2 120.0(8) . . ?
C28 C27 C26 121.2(9) . . ?
C27 C28 C29 120.5(10) . . ?
C28 C29 C30 118.1(10) . . ?
C31 C30 C29 120.0(9) . . ?
C30 C31 C26 122.3(9) . . ?
C37 C32 C33 119.9(8) . . ?
C37 C32 N2 118.9(7) . . ?
C33 C32 N2 121.2(7) . . ?
C32 C33 C34 118.2(9) . . ?
C35 C34 C33 121.7(9) . . ?
C34 C35 C36 120.4(9) . . ?
C35 C36 C37 119.2(10) . . ?
C32 C37 C36 120.6(9) . . ?
Cl1 C38 Cl2 120(2) . . ?

_diffrn_measured_fraction_theta_max 0.850
_diffrn_reflns_theta_full        25.35
_diffrn_measured_fraction_theta_full 0.850
_refine_diff_density_max         1.589
_refine_diff_density_min         -2.117
_refine_diff_density_rms         0.147