# Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2000
# CCDC Number: 186/2221

data_ticlen2

_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C11 H13 Cl2 N Ti'
_chemical_formula_weight          278.02

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'
 'Ti'  'Ti'   0.2776   0.4457
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting            Orthorhombic
_symmetry_space_group_name_H-M    P212121

loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, -y, z+1/2'
 'x+1/2, -y+1/2, -z'
 '-x, y+1/2, -z+1/2'

_cell_length_a                    7.514(6)
_cell_length_b                    11.991(4)
_cell_length_c                    13.584(2)
_cell_angle_alpha                 90.00
_cell_angle_beta                  90.00
_cell_angle_gamma                 90.00
_cell_volume                      1223.9(11)
_cell_formula_units_Z             4
_cell_measurement_temperature     293(2)
_cell_measurement_reflns_used     ?
_cell_measurement_theta_min       ?
_cell_measurement_theta_max       ?

_exptl_crystal_description        block
_exptl_crystal_colour             ?
_exptl_crystal_size_max           0.32
_exptl_crystal_size_mid           0.27
_exptl_crystal_size_min           0.18
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.509
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              568
_exptl_absorpt_coefficient_mu     1.101
_exptl_absorpt_correction_type    ?
_exptl_absorpt_correction_T_min   ?
_exptl_absorpt_correction_T_max   ?
_exptl_absorpt_process_details    ?

_exptl_special_details
;
 ?
;

_diffrn_ambient_temperature       293(2)
_diffrn_radiation_wavelength      0.71069
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   ?
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             1009
_diffrn_reflns_av_R_equivalents   0.0000
_diffrn_reflns_av_sigmaI/netI     0.0921
_diffrn_reflns_limit_h_min        0
_diffrn_reflns_limit_h_max        8
_diffrn_reflns_limit_k_min        0
_diffrn_reflns_limit_k_max        13
_diffrn_reflns_limit_l_min        0
_diffrn_reflns_limit_l_max        14
_diffrn_reflns_theta_min          2.27
_diffrn_reflns_theta_max          23.01
_reflns_number_total              1009
_reflns_number_gt                 688
_reflns_threshold_expression      >2sigma(I)

_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?

_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^)+(0.0665P)^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      SHELXL
_refine_ls_extinction_coef        0.0000(18)
_refine_ls_extinction_expression
 'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^'
_refine_ls_abs_structure_details
 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack    -0.15(14)
_refine_ls_number_reflns          1009
_refine_ls_number_parameters      137
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1032
_refine_ls_R_factor_gt            0.0497
_refine_ls_wR_factor_ref          0.1233
_refine_ls_wR_factor_gt           0.1075
_refine_ls_goodness_of_fit_ref    1.006
_refine_ls_restrained_S_all       1.006
_refine_ls_shift/su_max           1.058
_refine_ls_shift/su_mean          0.008

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_symetry_multiplicity
 _atom_site_calc_flag
 _atom_site_refinement_flags
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Ti1 Ti 0.4655(2) 1.00190(17) 0.11643(12) 0.0356(5) Uani 1 1 d . . .
Cl1 Cl 0.3139(4) 1.0537(2) -0.02186(18) 0.0538(9) Uani 1 1 d . . .
Cl2 Cl 0.2861(4) 0.8667(3) 0.1784(2) 0.0605(9) Uani 1 1 d . . .
N1 N 0.6629(11) 0.9277(7) 0.0666(6) 0.047(2) Uani 1 1 d . . .
C1 C 0.4783(15) 1.1980(8) 0.1575(7) 0.039(3) Uani 1 1 d . . .
C2 C 0.6539(14) 1.1490(9) 0.1611(8) 0.047(3) Uani 1 1 d . . .
H2 H 0.7486 1.1659 0.1195 0.057 Uiso 1 1 calc R . .
C3 C 0.6561(16) 1.0722(10) 0.2377(7) 0.048(3) Uani 1 1 d . . .
H3 H 0.7554 1.0327 0.2591 0.058 Uiso 1 1 calc R . .
C4 C 0.4844(16) 1.0639(9) 0.2777(7) 0.049(3) Uani 1 1 d . . .
H4 H 0.4489 1.0143 0.3265 0.059 Uiso 1 1 calc R . .
C5 C 0.3741(17) 1.1439(9) 0.2309(8) 0.047(3) Uani 1 1 d . . .
C6 C 0.1948(17) 1.1765(10) 0.2423(8) 0.056(3) Uani 1 1 d . . .
H6 H 0.1200 1.1414 0.2872 0.068 Uiso 1 1 calc R . .
C7 C 0.1378(18) 1.2597(11) 0.1858(9) 0.069(4) Uani 1 1 d . . .
H7 H 0.0208 1.2831 0.1944 0.082 Uiso 1 1 calc R . .
C8 C 0.2359(17) 1.3135(9) 0.1164(9) 0.059(3) Uani 1 1 d . . .
H8 H 0.1844 1.3702 0.0794 0.070 Uiso 1 1 calc R . .
C9 C 0.4076(17) 1.2852(9) 0.1008(8) 0.052(3) Uani 1 1 d . . .
H9 H 0.4764 1.3222 0.0542 0.062 Uiso 1 1 calc R . .
C10 C 0.6057(16) 0.8341(9) 0.0052(8) 0.063(4) Uani 1 1 d . . .
H10A H 0.4780 0.8318 0.0030 0.082 Uiso 1 1 calc R . .
H10B H 0.6499 0.7657 0.0325 0.082 Uiso 1 1 calc R . .
H10C H 0.6515 0.8434 -0.0603 0.082 Uiso 1 1 calc R . .
C11 C 0.8574(14) 0.9322(10) 0.0707(8) 0.058(3) Uani 1 1 d . . .
H11A H 0.8935 0.9943 0.1106 0.075 Uiso 1 1 calc R . .
H11B H 0.9041 0.9409 0.0054 0.075 Uiso 1 1 calc R . .
H11C H 0.9021 0.8644 0.0990 0.075 Uiso 1 1 calc R . .

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
Ti1 0.0213(9) 0.0414(9) 0.0440(9) -0.0018(11) -0.0016(10) -0.0020(12)
Cl1 0.045(2) 0.0634(18) 0.0532(15) 0.0029(15) -0.0175(16) -0.0009(16)
Cl2 0.045(2) 0.0607(17) 0.0754(18) 0.0150(18) -0.0030(18) -0.0193(18)
N1 0.023(6) 0.056(6) 0.063(5) -0.007(5) -0.008(5) 0.005(5)
C1 0.031(7) 0.042(6) 0.044(6) -0.002(5) 0.002(6) -0.009(6)
C2 0.024(7) 0.053(7) 0.064(7) -0.010(6) -0.006(6) -0.010(6)
C3 0.035(8) 0.059(7) 0.050(7) -0.005(6) -0.019(6) -0.004(7)
C4 0.049(8) 0.057(7) 0.042(6) -0.004(6) -0.003(6) -0.004(7)
C5 0.043(8) 0.054(7) 0.044(6) -0.012(6) 0.005(7) 0.007(7)
C6 0.045(9) 0.073(9) 0.052(7) -0.003(6) 0.016(7) -0.002(8)
C7 0.040(9) 0.083(10) 0.083(10) -0.035(9) 0.009(9) 0.001(8)
C8 0.041(8) 0.055(7) 0.080(9) -0.005(7) -0.018(8) 0.012(7)
C9 0.051(9) 0.040(6) 0.065(8) 0.001(6) -0.009(7) -0.008(6)
C10 0.032(7) 0.073(9) 0.084(8) -0.023(7) -0.007(7) 0.008(7)
C11 0.024(7) 0.071(8) 0.077(8) 0.002(8) 0.003(6) 0.009(7)

_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
Ti1 N1 1.858(9) . ?
Ti1 Cl2 2.270(4) . ?
Ti1 Cl1 2.283(3) . ?
Ti1 C4 2.317(9) . ?
Ti1 C3 2.341(10) . ?
Ti1 C2 2.342(10) . ?
Ti1 C5 2.406(11) . ?
Ti1 C1 2.419(10) . ?
N1 C10 1.462(11) . ?
N1 C11 1.463(13) . ?
C1 C9 1.402(14) . ?
C1 C5 1.425(14) . ?
C1 C2 1.446(15) . ?
C2 C3 1.391(13) . ?
C2 H2 0.9300 . ?
C3 C4 1.403(15) . ?
C3 H3 0.9300 . ?
C4 C5 1.418(15) . ?
C4 H4 0.9300 . ?
C5 C6 1.411(16) . ?
C6 C7 1.329(15) . ?
C6 H6 0.9300 . ?
C7 C8 1.359(15) . ?
C7 H7 0.9300 . ?
C8 C9 1.351(15) . ?
C8 H8 0.9300 . ?
C9 H9 0.9300 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?

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
N1 Ti1 Cl2 105.5(3) . . ?
N1 Ti1 Cl1 103.2(3) . . ?
Cl2 Ti1 Cl1 101.74(13) . . ?
N1 Ti1 C4 116.7(4) . . ?
Cl2 Ti1 C4 85.1(3) . . ?
Cl1 Ti1 C4 136.2(3) . . ?
N1 Ti1 C3 86.6(4) . . ?
Cl2 Ti1 C3 111.1(3) . . ?
Cl1 Ti1 C3 141.9(3) . . ?
C4 Ti1 C3 35.1(4) . . ?
N1 Ti1 C2 88.4(4) . . ?
Cl2 Ti1 C2 143.2(3) . . ?
Cl1 Ti1 C2 108.0(3) . . ?
C4 Ti1 C2 58.4(4) . . ?
C3 Ti1 C2 34.6(3) . . ?
N1 Ti1 C5 143.4(4) . . ?
Cl2 Ti1 C5 95.5(3) . . ?
Cl1 Ti1 C5 101.4(3) . . ?
C4 Ti1 C5 34.9(4) . . ?
C3 Ti1 C5 57.6(4) . . ?
C2 Ti1 C5 58.1(4) . . ?
N1 Ti1 C1 121.2(4) . . ?
Cl2 Ti1 C1 129.2(3) . . ?
Cl1 Ti1 C1 86.8(3) . . ?
C4 Ti1 C1 57.9(4) . . ?
C3 Ti1 C1 57.5(4) . . ?
C2 Ti1 C1 35.3(4) . . ?
C5 Ti1 C1 34.3(3) . . ?
C10 N1 C11 110.1(9) . . ?
C10 N1 Ti1 109.9(7) . . ?
C11 N1 Ti1 139.9(8) . . ?
C9 C1 C5 121.1(11) . . ?
C9 C1 C2 131.8(10) . . ?
C5 C1 C2 107.0(10) . . ?
C9 C1 Ti1 125.7(7) . . ?
C5 C1 Ti1 72.3(6) . . ?
C2 C1 Ti1 69.5(6) . . ?
C3 C2 C1 107.8(10) . . ?
C3 C2 Ti1 72.6(6) . . ?
C1 C2 Ti1 75.2(6) . . ?
C3 C2 H2 126.1 . . ?
C1 C2 H2 126.1 . . ?
Ti1 C2 H2 118.0 . . ?
C2 C3 C4 109.0(11) . . ?
C2 C3 Ti1 72.8(6) . . ?
C4 C3 Ti1 71.6(6) . . ?
C2 C3 H3 125.5 . . ?
C4 C3 H3 125.5 . . ?
Ti1 C3 H3 121.8 . . ?
C3 C4 C5 108.4(10) . . ?
C3 C4 Ti1 73.4(6) . . ?
C5 C4 Ti1 76.0(6) . . ?
C3 C4 H4 125.8 . . ?
C5 C4 H4 125.8 . . ?
Ti1 C4 H4 116.9 . . ?
C6 C5 C4 134.1(12) . . ?
C6 C5 C1 118.4(11) . . ?
C4 C5 C1 107.5(11) . . ?
C6 C5 Ti1 122.6(8) . . ?
C4 C5 Ti1 69.1(6) . . ?
C1 C5 Ti1 73.3(6) . . ?
C7 C6 C5 116.9(12) . . ?
C7 C6 H6 121.6 . . ?
C5 C6 H6 121.6 . . ?
C6 C7 C8 125.6(13) . . ?
C6 C7 H7 117.2 . . ?
C8 C7 H7 117.2 . . ?
C9 C8 C7 120.5(12) . . ?
C9 C8 H8 119.7 . . ?
C7 C8 H8 119.7 . . ?
C8 C9 C1 117.5(12) . . ?
C8 C9 H9 121.2 . . ?
C1 C9 H9 121.2 . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 H11A 109.5 . . ?
N1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
N1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?

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
 _geom_torsion_site_symmetry_1
 _geom_torsion_site_symmetry_2
 _geom_torsion_site_symmetry_3
 _geom_torsion_site_symmetry_4
 _geom_torsion_publ_flag
Cl2 Ti1 N1 C10 48.4(7) . . . . ?
Cl1 Ti1 N1 C10 -58.0(7) . . . . ?
C4 Ti1 N1 C10 140.7(7) . . . . ?
C3 Ti1 N1 C10 159.3(7) . . . . ?
C2 Ti1 N1 C10 -166.2(7) . . . . ?
C5 Ti1 N1 C10 171.1(7) . . . . ?
C1 Ti1 N1 C10 -152.4(6) . . . . ?
Cl2 Ti1 N1 C11 -130.2(11) . . . . ?
Cl1 Ti1 N1 C11 123.4(11) . . . . ?
C4 Ti1 N1 C11 -37.9(13) . . . . ?
C3 Ti1 N1 C11 -19.3(11) . . . . ?
C2 Ti1 N1 C11 15.2(12) . . . . ?
C5 Ti1 N1 C11 -7.5(15) . . . . ?
C1 Ti1 N1 C11 29.0(13) . . . . ?
N1 Ti1 C1 C9 103.1(10) . . . . ?
Cl2 Ti1 C1 C9 -103.1(10) . . . . ?
Cl1 Ti1 C1 C9 -0.5(10) . . . . ?
C4 Ti1 C1 C9 -153.1(12) . . . . ?
C3 Ti1 C1 C9 165.2(12) . . . . ?
C2 Ti1 C1 C9 127.4(13) . . . . ?
C5 Ti1 C1 C9 -116.0(13) . . . . ?
N1 Ti1 C1 C5 -141.0(7) . . . . ?
Cl2 Ti1 C1 C5 12.9(8) . . . . ?
Cl1 Ti1 C1 C5 115.5(6) . . . . ?
C4 Ti1 C1 C5 -37.1(6) . . . . ?
C3 Ti1 C1 C5 -78.8(7) . . . . ?
C2 Ti1 C1 C5 -116.6(9) . . . . ?
N1 Ti1 C1 C2 -24.4(7) . . . . ?
Cl2 Ti1 C1 C2 129.5(6) . . . . ?
Cl1 Ti1 C1 C2 -127.9(6) . . . . ?
C4 Ti1 C1 C2 79.5(7) . . . . ?
C3 Ti1 C1 C2 37.7(6) . . . . ?
C5 Ti1 C1 C2 116.6(9) . . . . ?
C9 C1 C2 C3 174.1(10) . . . . ?
C5 C1 C2 C3 -2.9(11) . . . . ?
Ti1 C1 C2 C3 -65.9(7) . . . . ?
C9 C1 C2 Ti1 -120.0(11) . . . . ?
C5 C1 C2 Ti1 63.0(7) . . . . ?
N1 Ti1 C2 C3 -86.3(7) . . . . ?
Cl2 Ti1 C2 C3 27.9(9) . . . . ?
Cl1 Ti1 C2 C3 170.3(6) . . . . ?
C4 Ti1 C2 C3 36.7(7) . . . . ?
C5 Ti1 C2 C3 78.0(7) . . . . ?
C1 Ti1 C2 C3 114.4(9) . . . . ?
N1 Ti1 C2 C1 159.3(6) . . . . ?
Cl2 Ti1 C2 C1 -86.5(7) . . . . ?
Cl1 Ti1 C2 C1 55.9(6) . . . . ?
C4 Ti1 C2 C1 -77.7(7) . . . . ?
C3 Ti1 C2 C1 -114.4(9) . . . . ?
C5 Ti1 C2 C1 -36.4(6) . . . . ?
C1 C2 C3 C4 4.8(12) . . . . ?
Ti1 C2 C3 C4 -62.8(8) . . . . ?
C1 C2 C3 Ti1 67.6(7) . . . . ?
N1 Ti1 C3 C2 92.2(7) . . . . ?
Cl2 Ti1 C3 C2 -162.5(6) . . . . ?
Cl1 Ti1 C3 C2 -15.0(9) . . . . ?
C4 Ti1 C3 C2 -117.6(10) . . . . ?
C5 Ti1 C3 C2 -79.5(7) . . . . ?
C1 Ti1 C3 C2 -38.6(6) . . . . ?
N1 Ti1 C3 C4 -150.3(7) . . . . ?
Cl2 Ti1 C3 C4 -45.0(8) . . . . ?
Cl1 Ti1 C3 C4 102.6(7) . . . . ?
C2 Ti1 C3 C4 117.6(10) . . . . ?
C5 Ti1 C3 C4 38.0(7) . . . . ?
C1 Ti1 C3 C4 79.0(8) . . . . ?
C2 C3 C4 C5 -4.9(12) . . . . ?
Ti1 C3 C4 C5 -68.5(7) . . . . ?
C2 C3 C4 Ti1 63.6(7) . . . . ?
N1 Ti1 C4 C3 33.6(8) . . . . ?
Cl2 Ti1 C4 C3 138.5(7) . . . . ?
Cl1 Ti1 C4 C3 -119.6(7) . . . . ?
C2 Ti1 C4 C3 -36.2(7) . . . . ?
C5 Ti1 C4 C3 -114.5(11) . . . . ?
C1 Ti1 C4 C3 -78.0(8) . . . . ?
N1 Ti1 C4 C5 148.1(7) . . . . ?
Cl2 Ti1 C4 C5 -106.9(7) . . . . ?
Cl1 Ti1 C4 C5 -5.1(9) . . . . ?
C3 Ti1 C4 C5 114.5(11) . . . . ?
C2 Ti1 C4 C5 78.3(7) . . . . ?
C1 Ti1 C4 C5 36.5(7) . . . . ?
C3 C4 C5 C6 -177.5(12) . . . . ?
Ti1 C4 C5 C6 115.7(14) . . . . ?
C3 C4 C5 C1 3.0(12) . . . . ?
Ti1 C4 C5 C1 -63.8(7) . . . . ?
C3 C4 C5 Ti1 66.8(7) . . . . ?
C9 C1 C5 C6 3.0(15) . . . . ?
C2 C1 C5 C6 -179.7(10) . . . . ?
Ti1 C1 C5 C6 -118.5(10) . . . . ?
C9 C1 C5 C4 -177.5(9) . . . . ?
C2 C1 C5 C4 -0.1(11) . . . . ?
Ti1 C1 C5 C4 61.0(7) . . . . ?
C9 C1 C5 Ti1 121.5(9) . . . . ?
C2 C1 C5 Ti1 -61.1(7) . . . . ?
N1 Ti1 C5 C6 177.9(9) . . . . ?
Cl2 Ti1 C5 C6 -56.6(11) . . . . ?
Cl1 Ti1 C5 C6 46.6(11) . . . . ?
C4 Ti1 C5 C6 -129.9(14) . . . . ?
C3 Ti1 C5 C6 -168.1(12) . . . . ?
C2 Ti1 C5 C6 150.9(12) . . . . ?
C1 Ti1 C5 C6 113.4(13) . . . . ?
N1 Ti1 C5 C4 -52.2(10) . . . . ?
Cl2 Ti1 C5 C4 73.2(7) . . . . ?
Cl1 Ti1 C5 C4 176.4(7) . . . . ?
C3 Ti1 C5 C4 -38.2(7) . . . . ?
C2 Ti1 C5 C4 -79.3(8) . . . . ?
C1 Ti1 C5 C4 -116.8(10) . . . . ?
N1 Ti1 C5 C1 64.5(9) . . . . ?
Cl2 Ti1 C5 C1 -170.0(6) . . . . ?
Cl1 Ti1 C5 C1 -66.8(6) . . . . ?
C4 Ti1 C5 C1 116.8(10) . . . . ?
C3 Ti1 C5 C1 78.5(7) . . . . ?
C2 Ti1 C5 C1 37.5(6) . . . . ?
C4 C5 C6 C7 177.7(11) . . . . ?
C1 C5 C6 C7 -2.9(16) . . . . ?
Ti1 C5 C6 C7 -90.5(12) . . . . ?
C5 C6 C7 C8 2.0(18) . . . . ?
C6 C7 C8 C9 -1.0(19) . . . . ?
C7 C8 C9 C1 0.9(17) . . . . ?
C5 C1 C9 C8 -2.0(15) . . . . ?
C2 C1 C9 C8 -178.6(11) . . . . ?
Ti1 C1 C9 C8 87.8(13) . . . . ?

_diffrn_measured_fraction_theta_max    0.995
_diffrn_reflns_theta_full              23.01
_diffrn_measured_fraction_theta_full   0.995
_refine_diff_density_max    0.577
_refine_diff_density_min   -0.332
_refine_diff_density_rms    0.082