#------------------------------------------------------------------------------
#$Date: 2011-09-10 06:16:28 +0300 (Sat, 10 Sep 2011) $
#$Revision: 25271 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2012370.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2012370
loop_
_publ_author_name
'Abboud, Khalil A.'
'Nickias, Peter N.'
'Chen, Eugene Y.-X.'
_publ_section_title
;
 {<i>N</i>-[Dimethyl(\h^5^-2,3,4,6-tetramethylindenyl)silyl]cyclobutylamido-\k<i>N</i>}(\h^4^-1,4-diphenyl-1,3-butadiene)titanium(II)
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1408
_journal_page_last               1409
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Ti (C19 H27 N Si) (C16 H14)]'
_chemical_formula_moiety         'C35 H41 N Si Ti'
_chemical_formula_sum            'C35 H41 N Si Ti'
_chemical_formula_weight         551.68
_chemical_name_systematic
;
{N-[Dimethyl(\h^5^-1,2,5,7-tetramethylindenyl)silyl]cyclobutylamido-\kN}-
(\h^4^-1,4-diphenyl-1,3-butadiene)titanium(II)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 112.0200(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.0726(6)
_cell_length_b                   20.5090(10)
_cell_length_c                   13.9311(8)
_cell_measurement_reflns_used    4542
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.0
_cell_volume                     2932.8(3)
_computing_cell_refinement       'SMART and SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SHELXTL (Bruker, 1998)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0549
_diffrn_reflns_av_sigmaI/netI    .0804
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20107
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.86
_diffrn_standards_decay_%        none
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    .357
_exptl_absorpt_correction_T_max  .9727
_exptl_absorpt_correction_T_min  .9311
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
'integration, based on measured indexed faces (SHELXTL; Sheldrick, 1998)'
_exptl_crystal_colour            Black
_exptl_crystal_density_diffrn    1.249
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1176
_exptl_crystal_size_max          .19
_exptl_crystal_size_mid          .15
_exptl_crystal_size_min          .09
_refine_diff_density_max         .321
_refine_diff_density_min         -.310
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .955
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         6740
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .955
_refine_ls_R_factor_all          .0937
_refine_ls_R_factor_gt           .0438
_refine_ls_shift/su_max          .007
_refine_ls_shift/su_mean         .001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0458P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          .0905
_refine_ls_wR_factor_ref         .1032
_reflns_number_gt                4070
_reflns_number_total             6740
_reflns_threshold_expression     I>2\s(I)
_[local]_cod_data_source_file    fr1316.cif
_[local]_cod_data_source_block   I
_[local]_cod_cif_authors_sg_H-M  'P 21/n'
_cod_original_cell_volume        2932.9(3)
_cod_database_code               2012370
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_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_type_symbol
Ti .54291(4) .272935(19) .63494(3) .02444(11) Uani d . 1 Ti
Si .53023(6) .19255(3) .79841(5) .02882(16) Uani d . 1 Si
N1 .42767(17) .21588(8) .67538(13) .0254(4) Uani d . 1 N
C1 .6683(2) .24417(11) .79705(16) .0281(5) Uani d . 1 C
C2 .7466(2) .22813(12) .73696(17) .0341(6) Uani d . 1 C
C3 .7827(2) .28541(13) .70004(18) .0365(6) Uani d . 1 C
C4 .7465(3) .40900(13) .73082(19) .0430(7) Uani d . 1 C
C5 .6883(3) .44781(13) .7797(2) .0459(7) Uani d . 1 C
H5A .6986 .4937 .7767 .055 Uiso calc R 1 H
C6 .6125(2) .42359(12) .83547(18) .0385(6) Uani d . 1 C
C7 .6001(2) .35835(11) .84316(17) .0304(5) Uani d . 1 C
H7A .5481 .3418 .8785 .037 Uiso calc R 1 H
C8 .6640(2) .31427(11) .79906(15) .0271(5) Uani d . 1 C
C9 .7346(2) .34012(12) .73911(17) .0321(5) Uani d . 1 C
C10 .4731(3) .21363(16) .9048(2) .0404(7) Uani d . 1 C
H10A .432(2) .2551(12) .8964(17) .032(7) Uiso d . 1 H
H10B .416(3) .1807(14) .911(2) .067(9) Uiso d . 1 H
H10C .551(3) .2130(13) .973(2) .071(9) Uiso d . 1 H
C11 .5712(3) .10433(14) .8134(2) .0454(7) Uani d . 1 C
H11A .566(3) .0842(13) .748(2) .058(8) Uiso d . 1 H
H11B .509(3) .0803(13) .8317(19) .051(8) Uiso d . 1 H
H11C .651(3) .0983(12) .867(2) .048(8) Uiso d . 1 H
C12 .2939(2) .19578(11) .62254(16) .0278(5) Uani d . 1 C
H12A .2614 .2139 .5507 .033 Uiso calc R 1 H
C13 .2535(2) .12358(11) .61712(19) .0398(6) Uani d . 1 C
H13A .2426 .1021 .5507 .048 Uiso calc R 1 H
H13B .3094 .0972 .6768 .048 Uiso calc R 1 H
C14 .1250(3) .14548(14) .6249(2) .0494(7) Uani d . 1 C
H14A .0522 .1502 .5572 .059 Uiso calc R 1 H
H14B .0986 .1190 .6733 .059 Uiso calc R 1 H
C15 .1916(2) .20993(13) .6710(2) .0445(7) Uani d . 1 C
H15A .2279 .2109 .7476 .053 Uiso calc R 1 H
H15B .1375 .2490 .6422 .053 Uiso calc R 1 H
C16 .7869(3) .16054(13) .7182(2) .0490(7) Uani d . 1 C
H16A .8745 .1512 .7686 .074 Uiso calc R 1 H
H16B .7871 .1580 .6480 .074 Uiso calc R 1 H
H16C .7253 .1286 .7257 .074 Uiso calc R 1 H
C17 .8739(3) .28722(15) .6413(2) .0578(9) Uani d . 1 C
H17A .9638 .2927 .6904 .087 Uiso calc R 1 H
H17B .8502 .3238 .5925 .087 Uiso calc R 1 H
H17C .8665 .2463 .6032 .087 Uiso calc R 1 H
C18 .8238(3) .43774(15) .6716(2) .0673(9) Uani d . 1 C
H18A .8210 .4854 .6745 .101 Uiso calc R 1 H
H18B .7861 .4234 .5993 .101 Uiso calc R 1 H
H18C .9144 .4230 .7027 .101 Uiso calc R 1 H
C19 .5455(3) .47112(13) .8818(2) .0532(8) Uani d . 1 C
H19A .4977 .4470 .9171 .080 Uiso calc R 1 H
H19B .4846 .4980 .8267 .080 Uiso calc R 1 H
H19C .6108 .4992 .9317 .080 Uiso calc R 1 H
C20 .5099(2) .23085(12) .48052(16) .0291(5) Uani d . 1 C
H20 .422(2) .2268(10) .4684(16) .028(6) Uiso d . 1 H
C21 .5469(2) .29640(12) .47512(17) .0318(6) Uani d . 1 C
H21 .626(2) .3056(10) .4642(17) .035(6) Uiso d . 1 H
C22 .4970(2) .35083(12) .50795(17) .0325(6) Uani d . 1 C
H22 .548(2) .3904(11) .5134(16) .027(6) Uiso d . 1 H
C23 .3999(2) .35019(12) .55152(16) .0290(5) Uani d . 1 C
H23 .336(2) .3140(10) .5279(16) .029(6) Uiso d . 1 H
C24 .5698(2) .17466(12) .44952(16) .0306(5) Uani d . 1 C
C25 .5279(3) .11183(13) .45826(19) .0434(7) Uani d . 1 C
H25A .4601 .1058 .4836 .052 Uiso calc R 1 H
C26 .5828(3) .05788(13) .4310(2) .0512(7) Uani d . 1 C
H26A .5530 .0155 .4386 .061 Uiso calc R 1 H
C27 .6804(3) .06510(14) .3927(2) .0495(7) Uani d . 1 C
H27A .7184 .0280 .3743 .059 Uiso calc R 1 H
C28 .7218(3) .12687(13) .3816(2) .0480(7) Uani d . 1 C
H28A .7884 .1326 .3549 .058 Uiso calc R 1 H
C29 .6668(3) .18069(13) .40919(19) .0407(6) Uani d . 1 C
H29A .6962 .2230 .4004 .049 Uiso calc R 1 H
C30 .3498(2) .40971(11) .58318(16) .0304(5) Uani d . 1 C
C31 .2370(3) .40653(13) .60537(19) .0419(6) Uani d . 1 C
H31A .1963 .3655 .6030 .050 Uiso calc R 1 H
C32 .1830(3) .46159(15) .6307(2) .0502(7) Uani d . 1 C
H32A .1051 .4581 .6440 .060 Uiso calc R 1 H
C33 .2417(3) .52136(13) .6367(2) .0480(7) Uani d . 1 C
H33A .2047 .5592 .6539 .058 Uiso calc R 1 H
C34 .3542(3) .52577(13) .61760(19) .0449(7) Uani d . 1 C
H34A .3958 .5668 .6227 .054 Uiso calc R 1 H
C35 .4078(2) .47088(12) .59091(18) .0376(6) Uani d . 1 C
H35A .4856 .4750 .5776 .045 Uiso calc R 1 H
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
Ti .0222(2) .0287(2) .0222(2) -.00113(18) .00805(15) -.00125(17)
Si .0308(4) .0266(4) .0263(3) -.0003(3) .0075(3) .0019(3)
N1 .0239(10) .0261(11) .0252(9) .0000(8) .0081(8) -.0006(7)
C1 .0245(13) .0317(14) .0231(11) .0020(10) .0031(9) -.0011(9)
C2 .0234(12) .0441(16) .0291(12) .0040(11) .0033(10) -.0049(11)
C3 .0213(13) .0543(18) .0331(13) -.0021(11) .0091(10) -.0061(11)
C4 .0432(16) .0444(17) .0371(14) -.0204(13) .0100(12) -.0015(12)
C5 .0526(18) .0266(15) .0467(16) -.0118(12) .0049(14) -.0013(12)
C6 .0416(16) .0342(16) .0307(13) .0027(12) .0032(11) -.0065(11)
C7 .0320(14) .0288(14) .0281(12) -.0008(10) .0086(10) -.0012(10)
C8 .0227(12) .0326(14) .0211(11) -.0025(10) .0026(9) -.0043(9)
C9 .0225(13) .0403(15) .0290(12) -.0080(10) .0047(10) -.0028(10)
C10 .0462(17) .046(2) .0306(14) -.0092(14) .0157(13) .0013(12)
C11 .0436(19) .0329(17) .0489(18) .0027(13) .0049(15) .0076(13)
C12 .0255(13) .0321(13) .0243(11) -.0031(10) .0076(9) .0014(9)
C13 .0426(16) .0318(15) .0367(14) -.0080(11) .0053(12) .0051(11)
C14 .0367(16) .067(2) .0430(15) -.0186(14) .0135(13) .0071(14)
C15 .0309(15) .066(2) .0389(14) -.0062(12) .0154(12) -.0090(12)
C16 .0401(17) .0530(19) .0492(16) .0161(13) .0113(13) -.0087(13)
C17 .0306(16) .098(3) .0492(17) -.0104(15) .0204(13) -.0154(16)
C18 .072(2) .068(2) .066(2) -.0346(18) .0306(18) .0016(16)
C19 .069(2) .0363(17) .0449(16) .0139(14) .0106(15) -.0085(12)
C20 .0258(13) .0366(15) .0245(11) -.0007(11) .0091(10) -.0021(10)
C21 .0327(14) .0399(16) .0249(12) -.0006(11) .0133(10) -.0006(10)
C22 .0357(15) .0334(15) .0284(12) -.0022(11) .0119(11) .0014(10)
C23 .0319(14) .0290(14) .0257(12) -.0019(11) .0104(10) .0015(10)
C24 .0320(14) .0358(15) .0234(12) .0012(10) .0098(10) -.0020(10)
C25 .0542(18) .0420(17) .0439(15) -.0041(13) .0298(14) -.0037(12)
C26 .070(2) .0350(17) .0571(18) -.0043(14) .0339(16) -.0039(13)
C27 .062(2) .0411(18) .0512(17) .0118(14) .0274(15) -.0065(13)
C28 .0477(18) .0471(19) .0601(18) .0005(13) .0330(15) -.0097(14)
C29 .0446(16) .0389(16) .0456(15) -.0008(12) .0249(13) -.0059(12)
C30 .0341(14) .0323(14) .0244(12) .0025(10) .0104(10) .0017(10)
C31 .0436(17) .0428(17) .0445(15) -.0053(12) .0224(13) -.0078(12)
C32 .0469(18) .059(2) .0554(18) .0055(14) .0310(15) -.0065(14)
C33 .064(2) .0417(18) .0450(16) .0174(14) .0284(15) .0018(13)
C34 .066(2) .0306(16) .0447(16) .0051(13) .0288(15) .0059(12)
C35 .0443(16) .0353(16) .0386(14) .0053(12) .0217(12) .0059(11)
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C .0033 .0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0061 .0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si .0817 .0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ti Ti .2776 .4457 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_publ_flag
Cp Ti N1 110.40(8) yes
N1 Ti C20 99.09(8) yes
N1 Ti C23 99.33(8) yes
C20 Ti C23 86.82(8) yes
N1 Ti C1 77.16(8) ?
C20 Ti C1 133.59(9) ?
C23 Ti C1 139.59(8) ?
N1 Ti C21 130.89(8) ?
C20 Ti C21 36.52(8) ?
C23 Ti C21 67.30(8) ?
C1 Ti C21 143.40(9) ?
N1 Ti C22 131.01(8) ?
C20 Ti C22 67.34(9) ?
C23 Ti C22 36.48(8) ?
C1 Ti C22 146.56(9) ?
C21 Ti C22 35.44(8) ?
N1 Ti C8 97.59(7) ?
C20 Ti C8 156.50(8) ?
C23 Ti C8 106.67(8) ?
C1 Ti C8 36.60(8) ?
C21 Ti C8 131.41(8) ?
C22 Ti C8 112.47(8) ?
N1 Ti C2 99.94(8) ?
C20 Ti C2 101.88(8) ?
C23 Ti C2 157.27(9) ?
C1 Ti C2 36.69(8) ?
C21 Ti C2 107.75(9) ?
C22 Ti C2 128.47(9) ?
C8 Ti C2 58.80(8) ?
N1 Ti C3 132.80(8) ?
C20 Ti C3 99.18(8) ?
C23 Ti C3 124.80(9) ?
C1 Ti C3 58.95(8) ?
C21 Ti C3 85.73(8) ?
C22 Ti C3 96.18(9) ?
C8 Ti C3 57.33(8) ?
C2 Ti C3 33.56(8) ?
N1 Ti C9 131.79(7) ?
C20 Ti C9 125.12(8) ?
C23 Ti C9 101.16(9) ?
C1 Ti C9 59.19(8) ?
C21 Ti C9 97.30(8) ?
C22 Ti C9 87.60(8) ?
C8 Ti C9 34.58(7) ?
C2 Ti C9 56.64(9) ?
C3 Ti C9 33.57(8) ?
N1 Ti Si 36.48(5) ?
C20 Ti Si 120.61(6) ?
C23 Ti Si 125.95(6) ?
C1 Ti Si 40.72(6) ?
C21 Ti Si 156.78(7) ?
C22 Ti Si 162.42(6) ?
C8 Ti Si 67.09(6) ?
C2 Ti Si 67.41(6) ?
C3 Ti Si 97.70(6) ?
C9 Ti Si 98.08(6) ?
N1 Si C11 114.99(12) ?
N1 Si C1 93.96(9) ?
C11 Si C1 112.79(13) ?
N1 Si C10 115.47(12) ?
C11 Si C10 106.09(15) ?
C1 Si C10 113.56(12) ?
N1 Si Ti 42.39(6) ?
C11 Si Ti 124.66(11) ?
C1 Si Ti 51.62(6) ?
C10 Si Ti 129.16(10) ?
C12 N1 Si 126.30(14) ?
C12 N1 Ti 132.56(14) ?
Si N1 Ti 101.14(9) ?
C8 C1 C2 105.59(19) ?
C8 C1 Si 122.26(16) ?
C2 C1 Si 123.12(17) ?
C8 C1 Ti 75.18(12) ?
C2 C1 Ti 75.91(12) ?
Si C1 Ti 87.66(9) ?
C3 C2 C1 109.7(2) ?
C3 C2 C16 124.3(2) ?
C1 C2 C16 126.0(2) ?
C3 C2 Ti 77.98(14) ?
C1 C2 Ti 67.40(12) ?
C16 C2 Ti 122.17(16) ?
C2 C3 C9 108.6(2) ?
C2 C3 C17 123.9(2) ?
C9 C3 C17 127.0(2) ?
C2 C3 Ti 68.46(13) ?
C9 C3 Ti 73.74(13) ?
C17 C3 Ti 130.00(17) ?
C5 C4 C9 117.7(2) ?
C5 C4 C18 121.1(3) ?
C9 C4 C18 121.2(3) ?
C4 C5 C6 123.7(2) ?
C4 C5 H5A 118.2 ?
C6 C5 H5A 118.2 ?
C7 C6 C5 118.9(2) ?
C7 C6 C19 121.6(2) ?
C5 C6 C19 119.4(2) ?
C6 C7 C8 120.8(2) ?
C6 C7 H7A 119.6 ?
C8 C7 H7A 119.6 ?
C7 C8 C1 132.0(2) ?
C7 C8 C9 118.8(2) ?
C1 C8 C9 109.10(19) ?
C7 C8 Ti 117.26(15) ?
C1 C8 Ti 68.22(11) ?
C9 C8 Ti 78.65(12) ?
C4 C9 C3 133.2(2) ?
C4 C9 C8 119.8(2) ?
C3 C9 C8 106.9(2) ?
C4 C9 Ti 125.78(16) ?
C3 C9 Ti 72.69(13) ?
C8 C9 Ti 66.77(12) ?
Si C10 H10A 113.3(13) ?
Si C10 H10B 110.0(16) ?
H10A C10 H10B 110(2) ?
Si C10 H10C 108.3(16) ?
H10A C10 H10C 109(2) ?
H10B C10 H10C 106(2) ?
Si C11 H11A 112.4(16) ?
Si C11 H11B 111.1(16) ?
H11A C11 H11B 104(2) ?
Si C11 H11C 109.9(15) ?
H11A C11 H11C 113(2) ?
H11B C11 H11C 107(2) ?
N1 C12 C13 121.49(19) ?
N1 C12 C15 120.16(18) ?
C13 C12 C15 87.44(18) ?
N1 C12 H12A 108.6 ?
C13 C12 H12A 108.6 ?
C15 C12 H12A 108.6 ?
C14 C13 C12 88.56(18) ?
C14 C13 H13A 113.9 ?
C12 C13 H13A 113.9 ?
C14 C13 H13B 113.9 ?
C12 C13 H13B 113.9 ?
H13A C13 H13B 111.1 ?
C15 C14 C13 88.21(19) ?
C15 C14 H14A 113.9 ?
C13 C14 H14A 113.9 ?
C15 C14 H14B 113.9 ?
C13 C14 H14B 113.9 ?
H14A C14 H14B 111.2 ?
C14 C15 C12 88.37(18) ?
C14 C15 H15A 113.9 ?
C12 C15 H15A 113.9 ?
C14 C15 H15B 113.9 ?
C12 C15 H15B 113.9 ?
H15A C15 H15B 111.1 ?
C2 C16 H16A 109.5 ?
C2 C16 H16B 109.5 ?
H16A C16 H16B 109.5 ?
C2 C16 H16C 109.5 ?
H16A C16 H16C 109.5 ?
H16B C16 H16C 109.5 ?
C3 C17 H17A 109.5 ?
C3 C17 H17B 109.5 ?
H17A C17 H17B 109.5 ?
C3 C17 H17C 109.5 ?
H17A C17 H17C 109.5 ?
H17B C17 H17C 109.5 ?
C4 C18 H18A 109.5 ?
C4 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C4 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
C6 C19 H19A 109.5 ?
C6 C19 H19B 109.5 ?
H19A C19 H19B 109.5 ?
C6 C19 H19C 109.5 ?
H19A C19 H19C 109.5 ?
H19B C19 H19C 109.5 ?
C21 C20 C24 123.8(2) ?
C21 C20 Ti 74.71(13) ?
C24 C20 Ti 131.35(16) ?
C21 C20 H20 112.4(13) ?
C24 C20 H20 115.7(13) ?
Ti C20 H20 89.5(13) ?
C22 C21 C20 125.7(2) yes
C22 C21 Ti 72.29(13) ?
C20 C21 Ti 68.77(12) ?
C22 C21 H21 113.0(13) ?
C20 C21 H21 119.6(13) ?
Ti C21 H21 123.0(14) ?
C21 C22 C23 126.1(2) yes
C21 C22 Ti 72.27(14) ?
C23 C22 Ti 69.40(13) ?
C21 C22 H22 113.6(13) ?
C23 C22 H22 119.0(12) ?
Ti C22 H22 124.3(12) ?
C22 C23 C30 123.4(2) ?
C22 C23 Ti 74.12(14) ?
C30 C23 Ti 134.78(15) ?
C22 C23 H23 115.0(12) ?
C30 C23 H23 114.8(13) ?
Ti C23 H23 85.3(13) ?
C25 C24 C29 116.8(2) ?
C25 C24 C20 119.9(2) ?
C29 C24 C20 123.3(2) ?
C26 C25 C24 121.5(2) ?
C26 C25 H25A 119.2 ?
C24 C25 H25A 119.2 ?
C27 C26 C25 120.6(3) ?
C27 C26 H26A 119.7 ?
C25 C26 H26A 119.7 ?
C28 C27 C26 119.0(2) ?
C28 C27 H27A 120.5 ?
C26 C27 H27A 120.5 ?
C27 C28 C29 120.3(2) ?
C27 C28 H28A 119.9 ?
C29 C28 H28A 119.9 ?
C28 C29 C24 121.9(2) ?
C28 C29 H29A 119.1 ?
C24 C29 H29A 119.1 ?
C31 C30 C35 116.7(2) ?
C31 C30 C23 119.7(2) ?
C35 C30 C23 123.6(2) ?
C32 C31 C30 121.8(2) ?
C32 C31 H31A 119.1 ?
C30 C31 H31A 119.1 ?
C33 C32 C31 120.2(3) ?
C33 C32 H32A 119.9 ?
C31 C32 H32A 119.9 ?
C34 C33 C32 119.4(2) ?
C34 C33 H33A 120.3 ?
C32 C33 H33A 120.3 ?
C33 C34 C35 120.7(3) ?
C33 C34 H34A 119.7 ?
C35 C34 H34A 119.7 ?
C34 C35 C30 121.3(2) ?
C34 C35 H35A 119.4 ?
C30 C35 H35A 119.4 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ti N1 1.963(2) yes
Ti C20 2.217(2) yes
Ti C23 2.233(2) yes
Ti C1 2.242(2) yes
Ti C21 2.295(2) yes
Ti C22 2.295(2) yes
Ti C8 2.334(2) yes
Ti C2 2.355(2) yes
Ti C3 2.476(2) yes
Ti C9 2.490(2) yes
Ti Si 2.8572(7) ?
Si N1 1.7311(18) ?
Si C11 1.858(3) ?
Si C1 1.865(2) ?
Si C10 1.867(3) ?
N1 C12 1.445(3) ?
C1 C8 1.439(3) ?
C1 C2 1.451(3) ?
C2 C3 1.399(3) ?
C2 C16 1.509(3) ?
C3 C9 1.434(3) ?
C3 C17 1.520(3) ?
C4 C5 1.356(4) ?
C4 C9 1.428(3) ?
C4 C18 1.514(4) ?
C5 C6 1.430(4) ?
C5 H5A .9500 ?
C6 C7 1.353(3) ?
C6 C19 1.508(3) ?
C7 C8 1.422(3) ?
C7 H7A .9500 ?
C8 C9 1.441(3) ?
C10 H10A .95(2) ?
C10 H10B .95(3) ?
C10 H10C 1.02(3) ?
C11 H11A .98(3) ?
C11 H11B .96(3) ?
C11 H11C .92(3) ?
C12 C13 1.540(3) ?
C12 C15 1.548(3) ?
C12 H12A 1.0000 ?
C13 C14 1.534(4) ?
C13 H13A .9900 ?
C13 H13B .9900 ?
C14 C15 1.532(4) ?
C14 H14A .9900 ?
C14 H14B .9900 ?
C15 H15A .9900 ?
C15 H15B .9900 ?
C16 H16A .9800 ?
C16 H16B .9800 ?
C16 H16C .9800 ?
C17 H17A .9800 ?
C17 H17B .9800 ?
C17 H17C .9800 ?
C18 H18A .9800 ?
C18 H18B .9800 ?
C18 H18C .9800 ?
C19 H19A .9800 ?
C19 H19B .9800 ?
C19 H19C .9800 ?
C20 C21 1.416(3) yes
C20 C24 1.473(3) ?
C20 H20 .93(2) yes
C21 C22 1.397(3) yes
C21 H21 .96(2) yes
C22 C23 1.419(3) yes
C22 H22 .98(2) yes
C23 C30 1.475(3) ?
C23 H23 .99(2) yes
C24 C25 1.390(3) ?
C24 C29 1.393(3) ?
C25 C26 1.382(3) ?
C25 H25A .9500 ?
C26 C27 1.381(4) ?
C26 H26A .9500 ?
C27 C28 1.376(4) ?
C27 H27A .9500 ?
C28 C29 1.383(3) ?
C28 H28A .9500 ?
C29 H29A .9500 ?
C30 C31 1.396(3) ?
C30 C35 1.395(3) ?
C31 C32 1.384(3) ?
C31 H31A .9500 ?
C32 C33 1.375(4) ?
C32 H32A .9500 ?
C33 C34 1.370(4) ?
C33 H33A .9500 ?
C34 C35 1.387(3) ?
C34 H34A .9500 ?
C35 H35A .9500 ?
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_publ_flag
C20 Ti Si N1 -60.56(11) ?
C23 Ti Si N1 49.90(11) ?
C1 Ti Si N1 176.71(12) ?
C21 Ti Si N1 -68.89(19) ?
C22 Ti Si N1 52.1(2) ?
C8 Ti Si N1 144.38(10) ?
C2 Ti Si N1 -151.30(11) ?
C3 Ti Si N1 -166.05(10) ?
C9 Ti Si N1 160.05(10) ?
N1 Ti Si C11 90.24(15) ?
C20 Ti Si C11 29.69(15) ?
C23 Ti Si C11 140.14(15) ?
C1 Ti Si C11 -93.05(15) ?
C21 Ti Si C11 21.4(2) ?
C22 Ti Si C11 142.3(2) ?
C8 Ti Si C11 -125.37(14) ?
C2 Ti Si C11 -61.05(14) ?
C3 Ti Si C11 -75.81(14) ?
C9 Ti Si C11 -109.71(14) ?
N1 Ti Si C1 -176.71(12) ?
C20 Ti Si C1 122.73(11) ?
C23 Ti Si C1 -126.82(12) ?
C21 Ti Si C1 114.40(19) ?
C22 Ti Si C1 -124.6(2) ?
C8 Ti Si C1 -32.33(10) ?
C2 Ti Si C1 31.99(11) ?
C3 Ti Si C1 17.24(11) ?
C9 Ti Si C1 -16.66(11) ?
N1 Ti Si C10 -86.00(15) ?
C20 Ti Si C10 -146.56(14) ?
C23 Ti Si C10 -36.11(15) ?
C1 Ti Si C10 90.71(16) ?
C21 Ti Si C10 -154.9(2) ?
C22 Ti Si C10 -33.9(3) ?
C8 Ti Si C10 58.38(14) ?
C2 Ti Si C10 122.70(14) ?
C3 Ti Si C10 107.95(14) ?
C9 Ti Si C10 74.05(14) ?
C11 Si N1 C12 64.9(2) ?
C1 Si N1 C12 -177.70(18) ?
C10 Si N1 C12 -59.2(2) ?
Ti Si N1 C12 179.7(2) ?
C11 Si N1 Ti -114.85(13) ?
C1 Si N1 Ti 2.58(10) ?
C10 Si N1 Ti 121.05(12) ?
C20 Ti N1 C12 -49.1(2) ?
C23 Ti N1 C12 39.2(2) ?
C1 Ti N1 C12 178.1(2) ?
C21 Ti N1 C12 -28.8(2) ?
C22 Ti N1 C12 18.7(2) ?
C8 Ti N1 C12 147.55(19) ?
C2 Ti N1 C12 -152.93(19) ?
C3 Ti N1 C12 -160.68(17) ?
C9 Ti N1 C12 153.38(17) ?
Si Ti N1 C12 -179.7(2) ?
C20 Ti N1 Si 130.62(9) ?
C23 Ti N1 Si -141.14(9) ?
C1 Ti N1 Si -2.20(8) ?
C21 Ti N1 Si 150.89(9) ?
C22 Ti N1 Si -161.58(9) ?
C8 Ti N1 Si -32.76(9) ?
C2 Ti N1 Si 26.76(10) ?
C3 Ti N1 Si 19.00(14) ?
C9 Ti N1 Si -26.93(13) ?
N1 Si C1 C8 68.60(18) ?
C11 Si C1 C8 -172.16(18) ?
C10 Si C1 C8 -51.4(2) ?
Ti Si C1 C8 70.82(16) ?
N1 Si C1 C2 -73.71(19) ?
C11 Si C1 C2 45.5(2) ?
C10 Si C1 C2 166.26(19) ?
Ti Si C1 C2 -71.49(17) ?
N1 Si C1 Ti -2.22(8) ?
C11 Si C1 Ti 117.01(12) ?
C10 Si C1 Ti -122.25(12) ?
N1 Ti C1 C8 -122.29(13) ?
C20 Ti C1 C8 147.33(13) ?
C23 Ti C1 C8 -32.94(19) ?
C21 Ti C1 C8 92.72(17) ?
C22 Ti C1 C8 28.9(2) ?
C2 Ti C1 C8 110.67(18) ?
C3 Ti C1 C8 75.75(13) ?
C9 Ti C1 C8 36.41(12) ?
Si Ti C1 C8 -124.29(15) ?
N1 Ti C1 C2 127.04(15) ?
C20 Ti C1 C2 36.66(19) ?
C23 Ti C1 C2 -143.61(15) ?
C21 Ti C1 C2 -17.9(2) ?
C22 Ti C1 C2 -81.8(2) ?
C8 Ti C1 C2 -110.67(18) ?
C3 Ti C1 C2 -34.92(13) ?
C9 Ti C1 C2 -74.26(14) ?
Si Ti C1 C2 125.03(17) ?
N1 Ti C1 Si 2.00(8) ?
C20 Ti C1 Si -88.37(13) ?
C23 Ti C1 Si 91.36(14) ?
C21 Ti C1 Si -142.98(12) ?
C22 Ti C1 Si 153.18(12) ?
C8 Ti C1 Si 124.29(15) ?
C2 Ti C1 Si -125.03(17) ?
C3 Ti C1 Si -159.95(12) ?
C9 Ti C1 Si 160.70(12) ?
C8 C1 C2 C3 -2.7(2) ?
Si C1 C2 C3 144.79(17) ?
Ti C1 C2 C3 67.14(17) ?
C8 C1 C2 C16 175.9(2) ?
Si C1 C2 C16 -36.6(3) ?
Ti C1 C2 C16 -114.2(2) ?
C8 C1 C2 Ti -69.89(14) ?
Si C1 C2 Ti 77.65(15) ?
N1 Ti C2 C3 -169.69(13) ?
C20 Ti C2 C3 88.74(15) ?
C23 Ti C2 C3 -22.1(3) ?
C1 Ti C2 C3 -117.5(2) ?
C21 Ti C2 C3 51.39(15) ?
C22 Ti C2 C3 18.35(18) ?
C8 Ti C2 C3 -76.78(14) ?
C9 Ti C2 C3 -35.69(13) ?
Si Ti C2 C3 -152.84(15) ?
N1 Ti C2 C1 -52.20(14) ?
C20 Ti C2 C1 -153.77(14) ?
C23 Ti C2 C1 95.4(2) ?
C21 Ti C2 C1 168.88(14) ?
C22 Ti C2 C1 135.84(14) ?
C8 Ti C2 C1 40.71(13) ?
C3 Ti C2 C1 117.5(2) ?
C9 Ti C2 C1 81.80(14) ?
Si Ti C2 C1 -35.35(12) ?
N1 Ti C2 C16 67.2(2) ?
C20 Ti C2 C16 -34.4(2) ?
C23 Ti C2 C16 -145.2(2) ?
C1 Ti C2 C16 119.4(3) ?
C21 Ti C2 C16 -71.7(2) ?
C22 Ti C2 C16 -104.8(2) ?
C8 Ti C2 C16 160.1(2) ?
C3 Ti C2 C16 -123.1(3) ?
C9 Ti C2 C16 -158.8(2) ?
Si Ti C2 C16 84.0(2) ?
C1 C2 C3 C9 2.8(3) ?
C16 C2 C3 C9 -175.9(2) ?
Ti C2 C3 C9 63.22(16) ?
C1 C2 C3 C17 175.0(2) ?
C16 C2 C3 C17 -3.7(4) ?
Ti C2 C3 C17 -124.6(2) ?
C1 C2 C3 Ti -60.44(15) ?
C16 C2 C3 Ti 120.9(2) ?
N1 Ti C3 C2 13.91(18) ?
C20 Ti C3 C2 -97.67(14) ?
C23 Ti C3 C2 169.81(13) ?
C1 Ti C3 C2 38.22(13) ?
C21 Ti C3 C2 -131.73(15) ?
C22 Ti C3 C2 -165.65(14) ?
C8 Ti C3 C2 81.57(15) ?
C9 Ti C3 C2 118.2(2) ?
Si Ti C3 C2 25.17(14) ?
N1 Ti C3 C9 -104.30(15) ?
C20 Ti C3 C9 144.13(14) ?
C23 Ti C3 C9 51.61(16) ?
C1 Ti C3 C9 -79.99(14) ?
C21 Ti C3 C9 110.06(15) ?
C22 Ti C3 C9 76.15(14) ?
C8 Ti C3 C9 -36.63(13) ?
C2 Ti C3 C9 -118.2(2) ?
Si Ti C3 C9 -93.03(13) ?
N1 Ti C3 C17 130.7(2) ?
C20 Ti C3 C17 19.2(3) ?
C23 Ti C3 C17 -73.4(3) ?
C1 Ti C3 C17 155.0(3) ?
C21 Ti C3 C17 -14.9(2) ?
C22 Ti C3 C17 -48.8(2) ?
C8 Ti C3 C17 -161.6(3) ?
C2 Ti C3 C17 116.8(3) ?
C9 Ti C3 C17 -125.0(3) ?
Si Ti C3 C17 142.0(2) ?
C9 C4 C5 C6 -2.3(4) ?
C18 C4 C5 C6 179.1(2) ?
C4 C5 C6 C7 1.9(4) ?
C4 C5 C6 C19 -176.5(2) ?
C5 C6 C7 C8 1.7(3) ?
C19 C6 C7 C8 -180.0(2) ?
C6 C7 C8 C1 179.2(2) ?
C6 C7 C8 C9 -4.6(3) ?
C6 C7 C8 Ti -96.4(2) ?
C2 C1 C8 C7 178.1(2) ?
Si C1 C8 C7 30.2(3) ?
Ti C1 C8 C7 107.7(2) ?
C2 C1 C8 C9 1.7(2) ?
Si C1 C8 C9 -146.21(16) ?
Ti C1 C8 C9 -68.74(15) ?
C2 C1 C8 Ti 70.42(14) ?
Si C1 C8 Ti -77.47(14) ?
N1 Ti C8 C7 -70.93(18) ?
C20 Ti C8 C7 154.2(2) ?
C23 Ti C8 C7 31.23(19) ?
C1 Ti C8 C7 -127.2(2) ?
C21 Ti C8 C7 105.39(18) ?
C22 Ti C8 C7 69.56(19) ?
C2 Ti C8 C7 -168.0(2) ?
C3 Ti C8 C7 152.3(2) ?
C9 Ti C8 C7 116.7(2) ?
Si Ti C8 C7 -91.37(17) ?
N1 Ti C8 C1 56.25(13) ?
C20 Ti C8 C1 -78.7(2) ?
C23 Ti C8 C1 158.41(13) ?
C21 Ti C8 C1 -127.43(14) ?
C22 Ti C8 C1 -163.26(13) ?
C2 Ti C8 C1 -40.81(13) ?
C3 Ti C8 C1 -80.54(14) ?
C9 Ti C8 C1 -116.08(19) ?
Si Ti C8 C1 35.81(11) ?
N1 Ti C8 C9 172.34(13) ?
C20 Ti C8 C9 37.4(3) ?
C23 Ti C8 C9 -85.51(15) ?
C1 Ti C8 C9 116.08(19) ?
C21 Ti C8 C9 -11.35(18) ?
C22 Ti C8 C9 -47.17(16) ?
C2 Ti C8 C9 75.28(15) ?
C3 Ti C8 C9 35.54(13) ?
Si Ti C8 C9 151.89(14) ?
C5 C4 C9 C3 -179.2(3) ?
C18 C4 C9 C3 -.6(4) ?
C5 C4 C9 C8 -.8(3) ?
C18 C4 C9 C8 177.8(2) ?
C5 C4 C9 Ti 80.7(3) ?
C18 C4 C9 Ti -100.6(3) ?
C2 C3 C9 C4 176.9(2) ?
C17 C3 C9 C4 5.0(4) ?
Ti C3 C9 C4 -123.2(3) ?
C2 C3 C9 C8 -1.7(3) ?
C17 C3 C9 C8 -173.6(2) ?
Ti C3 C9 C8 58.21(15) ?
C2 C3 C9 Ti -59.88(16) ?
C17 C3 C9 Ti 128.2(2) ?
C7 C8 C9 C4 4.2(3) ?
C1 C8 C9 C4 -178.9(2) ?
Ti C8 C9 C4 119.2(2) ?
C7 C8 C9 C3 -177.04(19) ?
C1 C8 C9 C3 -.1(2) ?
Ti C8 C9 C3 -62.03(16) ?
C7 C8 C9 Ti -115.01(19) ?
C1 C8 C9 Ti 61.96(14) ?
N1 Ti C9 C4 -121.2(2) ?
C20 Ti C9 C4 86.3(2) ?
C23 Ti C9 C4 -7.7(2) ?
C1 Ti C9 C4 -149.5(2) ?
C21 Ti C9 C4 60.5(2) ?
C22 Ti C9 C4 26.3(2) ?
C8 Ti C9 C4 -110.9(3) ?
C2 Ti C9 C4 167.0(2) ?
C3 Ti C9 C4 131.3(3) ?
Si Ti C9 C4 -136.94(19) ?
N1 Ti C9 C3 107.54(15) ?
C20 Ti C9 C3 -45.01(17) ?
C23 Ti C9 C3 -139.01(14) ?
C1 Ti C9 C3 79.19(15) ?
C21 Ti C9 C3 -70.80(15) ?
C22 Ti C9 C3 -104.96(14) ?
C8 Ti C9 C3 117.8(2) ?
C2 Ti C9 C3 35.68(13) ?
Si Ti C9 C3 91.76(13) ?
N1 Ti C9 C8 -10.21(18) ?
C20 Ti C9 C8 -162.77(13) ?
C23 Ti C9 C8 103.24(14) ?
C1 Ti C9 C8 -38.57(13) ?
C21 Ti C9 C8 171.44(14) ?
C22 Ti C9 C8 137.29(14) ?
C2 Ti C9 C8 -82.08(15) ?
C3 Ti C9 C8 -117.8(2) ?
Si Ti C9 C8 -25.99(13) ?
Si N1 C12 C13 -48.5(3) ?
Ti N1 C12 C13 131.17(19) ?
Si N1 C12 C15 58.7(3) ?
Ti N1 C12 C15 -121.6(2) ?
N1 C12 C13 C14 144.5(2) ?
C15 C12 C13 C14 20.30(18) ?
C12 C13 C14 C15 -20.5(2) yes
C13 C14 C15 C12 20.40(18) ?
N1 C12 C15 C14 -145.7(2) ?
C13 C12 C15 C14 -20.34(18) ?
N1 Ti C20 C21 153.89(14) ?
C23 Ti C20 C21 54.94(15) ?
C1 Ti C20 C21 -125.24(15) ?
C22 Ti C20 C21 23.09(14) ?
C8 Ti C20 C21 -71.4(3) ?
C2 Ti C20 C21 -103.86(15) ?
C3 Ti C20 C21 -69.82(15) ?
C9 Ti C20 C21 -46.48(17) ?
Si Ti C20 C21 -174.49(12) ?
N1 Ti C20 C24 -84.3(2) ?
C23 Ti C20 C24 176.8(2) ?
C1 Ti C20 C24 -3.4(3) ?
C21 Ti C20 C24 121.9(3) ?
C22 Ti C20 C24 144.9(2) ?
C8 Ti C20 C24 50.4(3) ?
C2 Ti C20 C24 18.0(2) ?
C3 Ti C20 C24 52.0(2) ?
C9 Ti C20 C24 75.4(2) ?
Si Ti C20 C24 -52.6(2) ?
C24 C20 C21 C22 -177.0(2) ?
Ti C20 C21 C22 -47.1(2) ?
C24 C20 C21 Ti -129.9(2) ?
N1 Ti C21 C22 106.28(16) ?
C20 Ti C21 C22 141.4(2) ?
C23 Ti C21 C22 23.74(14) ?
C1 Ti C21 C22 -121.45(17) ?
C8 Ti C21 C22 -68.88(18) ?
C2 Ti C21 C22 -132.59(15) ?
C3 Ti C21 C22 -106.93(15) ?
C9 Ti C21 C22 -75.35(15) ?
Si Ti C21 C22 153.47(14) ?
N1 Ti C21 C20 -35.09(18) ?
C23 Ti C21 C20 -117.63(16) ?
C1 Ti C21 C20 97.18(18) ?
C22 Ti C21 C20 -141.4(2) ?
C8 Ti C21 C20 149.74(14) ?
C2 Ti C21 C20 86.03(15) ?
C3 Ti C21 C20 111.70(15) ?
C9 Ti C21 C20 143.28(14) ?
Si Ti C21 C20 12.1(3) ?
C20 C21 C22 C23 -.6(4) yes
Ti C21 C22 C23 -46.4(2) ?
C20 C21 C22 Ti 45.8(2) ?
N1 Ti C22 C21 -105.91(16) ?
C20 Ti C22 C21 -23.74(14) ?
C23 Ti C22 C21 -141.3(2) ?
C1 Ti C22 C21 112.62(18) ?
C8 Ti C22 C21 130.79(14) ?
C2 Ti C22 C21 63.58(18) ?
C3 Ti C22 C21 73.66(15) ?
C9 Ti C22 C21 106.16(15) ?
Si Ti C22 C21 -144.35(19) ?
N1 Ti C22 C23 35.43(18) ?
C20 Ti C22 C23 117.60(16) ?
C1 Ti C22 C23 -106.03(18) ?
C21 Ti C22 C23 141.3(2) ?
C8 Ti C22 C23 -87.87(15) ?
C2 Ti C22 C23 -155.08(14) ?
C3 Ti C22 C23 -145.00(14) ?
C9 Ti C22 C23 -112.50(15) ?
Si Ti C22 C23 -3.0(3) ?
C21 C22 C23 C30 -179.0(2) ?
Ti C22 C23 C30 133.6(2) ?
C21 C22 C23 Ti 47.4(2) ?
N1 Ti C23 C22 -153.68(14) ?
C20 Ti C23 C22 -54.99(15) ?
C1 Ti C23 C22 125.21(16) ?
C21 Ti C23 C22 -23.12(14) ?
C8 Ti C23 C22 105.43(14) ?
C2 Ti C23 C22 58.6(3) ?
C3 Ti C23 C22 43.99(17) ?
C9 Ti C23 C22 70.20(15) ?
Si Ti C23 C22 178.88(11) ?
N1 Ti C23 C30 84.7(2) ?
C20 Ti C23 C30 -176.6(2) ?
C1 Ti C23 C30 3.6(3) ?
C21 Ti C23 C30 -144.8(3) ?
C22 Ti C23 C30 -121.6(3) ?
C8 Ti C23 C30 -16.2(3) ?
C2 Ti C23 C30 -63.0(3) ?
C3 Ti C23 C30 -77.6(2) ?
C9 Ti C23 C30 -51.4(2) ?
Si Ti C23 C30 57.2(3) ?
C21 C20 C24 C25 179.5(2) ?
Ti C20 C24 C25 79.9(3) ?
C21 C20 C24 C29 -1.7(3) ?
Ti C20 C24 C29 -101.3(3) ?
C29 C24 C25 C26 1.8(4) ?
C20 C24 C25 C26 -179.3(2) ?
C24 C25 C26 C27 -.8(4) ?
C25 C26 C27 C28 -.3(4) ?
C26 C27 C28 C29 .5(4) ?
C27 C28 C29 C24 .6(4) ?
C25 C24 C29 C28 -1.7(4) ?
C20 C24 C29 C28 179.5(2) ?
C22 C23 C30 C31 167.0(2) ?
Ti C23 C30 C31 -91.9(3) ?
C22 C23 C30 C35 -11.9(4) ?
Ti C23 C30 C35 89.3(3) ?
C35 C30 C31 C32 1.9(4) ?
C23 C30 C31 C32 -177.0(2) ?
C30 C31 C32 C33 -1.3(4) ?
C31 C32 C33 C34 -.2(4) ?
C32 C33 C34 C35 1.0(4) ?
C33 C34 C35 C30 -.3(4) ?
C31 C30 C35 C34 -1.1(3) ?
C23 C30 C35 C34 177.8(2) ?