#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:44:23 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178627 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/38/4073852.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4073852
loop_
_publ_author_name
'Breunig, Hans J.'
'Borrmann, Tobias'
'Lork, Enno'
'Raţ, Ciprian I.'
'Rosenthal, Uwe'
_publ_section_title
;
 Syntheses and Structures of Distibene Complexes of Tungsten and
 Titanium:  [W(CO)5{(2,6-Mes2C6H3)2Sb2}] (Mes = 2,4,6-Me3C6H2) and
 [Cp2Ti{(2,6-Mes2C6H3)2Sb2)}]
;
_journal_issue                   22
_journal_name_full               Organometallics
_journal_page_first              5364
_journal_paper_doi               10.1021/om700681w
_journal_volume                  26
_journal_year                    2007
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C58 H60 Sb2 Ti, 1.5(C6 D6)'
_chemical_formula_sum            'C67 H60 D9 Sb2 Ti'
_chemical_formula_weight         1174.63
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2007-03-23T12:58:25-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                97.060(10)
_cell_angle_beta                 93.690(10)
_cell_angle_gamma                109.120(10)
_cell_formula_units_Z            2
_cell_length_a                   11.2720(10)
_cell_length_b                   12.836(2)
_cell_length_c                   20.263(2)
_cell_measurement_reflns_used    47
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.974
_cell_measurement_theta_min      4.559
_cell_measurement_wavelength     0.71073
_cell_volume                     2731.9(6)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens XSCANS'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0274
_diffrn_reflns_av_unetI/netI     0.0772
_diffrn_reflns_limit_h_max       2
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            14678
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         2.64
_exptl_absorpt_coefficient_mu    1.165
_exptl_absorpt_correction_T_max  0.8446
_exptl_absorpt_correction_T_min  0.5935
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
        (See: Walker, N. & Stuart, D. (1983) Acta Cryst. A39, 158-166)
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.417
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             1190
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.571
_refine_diff_density_min         -0.652
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     643
_refine_ls_number_reflns         12549
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0735
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0341P)²+1.5883P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.088
_refine_ls_wR_factor_ref         0.0983
_reflns_number_gt                8969
_reflns_number_total             12549
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om700681w-file009.cif
_cod_data_source_block           cr10
_cod_database_code               4073852
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.6397(4) 1.1574(3) 0.20574(18) 0.0213(8) Uani 1 1 d .
C2 C 0.7253(4) 1.1000(3) 0.21609(19) 0.0239(8) Uani 1 1 d .
C3 C 0.8368(4) 1.1263(4) 0.1843(2) 0.0328(10) Uani 1 1 d .
H3 H 0.8941 1.0873 0.1911 0.039 Uiso 1 1 calc R
C4 C 0.8638(4) 1.2073(4) 0.1437(2) 0.0408(12) Uani 1 1 d .
H4 H 0.9372 1.2219 0.1209 0.049 Uiso 1 1 calc R
C5 C 0.7830(4) 1.2676(4) 0.1363(2) 0.0372(11) Uani 1 1 d .
H5 H 0.8028 1.3248 0.109 0.045 Uiso 1 1 calc R
C6 C 0.6735(4) 1.2455(3) 0.1681(2) 0.0267(9) Uani 1 1 d .
C7 C 0.6028(4) 1.3265(3) 0.16431(19) 0.0249(9) Uani 1 1 d .
C8 C 0.6265(4) 1.4133(3) 0.2188(2) 0.0277(9) Uani 1 1 d .
C9 C 0.5698(4) 1.4931(4) 0.2151(2) 0.0331(10) Uani 1 1 d .
H9 H 0.5849 1.5504 0.2523 0.04 Uiso 1 1 calc R
C10 C 0.4906(4) 1.4928(4) 0.1585(2) 0.0333(10) Uani 1 1 d .
C11 C 0.4690(4) 1.4076(4) 0.1059(2) 0.0339(10) Uani 1 1 d .
H11 H 0.4147 1.4049 0.0673 0.041 Uiso 1 1 calc R
C12 C 0.5242(4) 1.3251(4) 0.1073(2) 0.0299(9) Uani 1 1 d .
C13 C 0.7133(5) 1.4203(4) 0.2802(2) 0.0373(11) Uani 1 1 d .
H13A H 0.7317 1.4926 0.3084 0.056 Uiso 1 1 calc R
H13B H 0.7922 1.4124 0.2667 0.056 Uiso 1 1 calc R
H13C H 0.6724 1.3603 0.3054 0.056 Uiso 1 1 calc R
C14 C 0.4328(5) 1.5835(4) 0.1546(3) 0.0423(12) Uani 1 1 d .
H14A H 0.4637 1.6239 0.1177 0.064 Uiso 1 1 calc R
H14B H 0.4566 1.6354 0.1968 0.064 Uiso 1 1 calc R
H14C H 0.3405 1.5496 0.1468 0.064 Uiso 1 1 calc R
C15 C 0.5003(5) 1.2375(4) 0.0466(2) 0.0408(12) Uani 1 1 d .
H15A H 0.4274 1.1725 0.0513 0.061 Uiso 1 1 calc R
H15B H 0.575 1.215 0.0427 0.061 Uiso 1 1 calc R
H15C H 0.4831 1.2679 0.0065 0.061 Uiso 1 1 calc R
C16 C 0.7113(4) 1.0144(3) 0.2620(2) 0.0236(8) Uani 1 1 d .
C17 C 0.7055(4) 0.9054(4) 0.2362(2) 0.0297(9) Uani 1 1 d .
C18 C 0.7002(4) 0.8301(4) 0.2814(2) 0.0359(11) Uani 1 1 d .
H18 H 0.6948 0.7562 0.2642 0.043 Uiso 1 1 calc R
C19 C 0.7023(4) 0.8576(4) 0.3492(2) 0.0357(11) Uani 1 1 d .
C20 C 0.7139(4) 0.9660(4) 0.3735(2) 0.0319(10) Uani 1 1 d .
H20 H 0.7183 0.9874 0.4205 0.038 Uiso 1 1 calc R
C21 C 0.7195(4) 1.0454(3) 0.3314(2) 0.0256(9) Uani 1 1 d .
C22 C 0.7109(5) 0.8687(4) 0.1635(2) 0.0402(12) Uani 1 1 d .
H22A H 0.7988 0.8798 0.1556 0.06 Uiso 1 1 calc R
H22B H 0.6773 0.9129 0.1363 0.06 Uiso 1 1 calc R
H22C H 0.6602 0.7896 0.1513 0.06 Uiso 1 1 calc R
C23 C 0.6962(5) 0.7722(4) 0.3957(3) 0.0520(14) Uani 1 1 d .
H23A H 0.6239 0.7043 0.3796 0.078 Uiso 1 1 calc R
H23B H 0.6866 0.803 0.4409 0.078 Uiso 1 1 calc R
H23C H 0.7743 0.7542 0.3965 0.078 Uiso 1 1 calc R
C24 C 0.7421(4) 1.1649(3) 0.3619(2) 0.0327(10) Uani 1 1 d .
H24A H 0.6621 1.1797 0.3587 0.049 Uiso 1 1 calc R
H24B H 0.8027 1.2155 0.3377 0.049 Uiso 1 1 calc R
H24C H 0.776 1.1768 0.409 0.049 Uiso 1 1 calc R
C25 C 0.2127(4) 0.9092(3) 0.34827(18) 0.0211(8) Uani 1 1 d .
C26 C 0.1993(4) 0.9967(3) 0.39319(19) 0.0241(8) Uani 1 1 d .
C27 C 0.1159(4) 0.9712(4) 0.4421(2) 0.0341(10) Uani 1 1 d .
H27 H 0.1078 1.0301 0.4728 0.041 Uiso 1 1 calc R
C28 C 0.0452(5) 0.8620(4) 0.4465(2) 0.0404(12) Uani 1 1 d .
H28 H -0.0119 0.8461 0.4794 0.048 Uiso 1 1 calc R
C29 C 0.0584(4) 0.7771(4) 0.4030(2) 0.0354(11) Uani 1 1 d .
H29 H 0.0101 0.7021 0.4059 0.042 Uiso 1 1 calc R
C30 C 0.1417(4) 0.7990(3) 0.35448(19) 0.0260(9) Uani 1 1 d .
C31 C 0.1580(4) 0.6977(3) 0.31523(19) 0.0244(8) Uani 1 1 d .
C32 C 0.2538(4) 0.6601(3) 0.33924(19) 0.0258(9) Uani 1 1 d .
C33 C 0.2627(4) 0.5615(3) 0.3083(2) 0.0291(9) Uani 1 1 d .
H33 H 0.3295 0.5379 0.324 0.035 Uiso 1 1 calc R
C34 C 0.1763(4) 0.4954(3) 0.2544(2) 0.0302(10) Uani 1 1 d .
C35 C 0.0815(4) 0.5328(4) 0.2319(2) 0.0309(10) Uani 1 1 d .
H35 H 0.0214 0.4887 0.1956 0.037 Uiso 1 1 calc R
C36 C 0.0711(4) 0.6330(3) 0.2609(2) 0.0286(9) Uani 1 1 d .
C37 C 0.3441(5) 0.7241(4) 0.3999(2) 0.0360(11) Uani 1 1 d .
H37A H 0.398 0.6817 0.4124 0.054 Uiso 1 1 calc R
H37B H 0.2963 0.7359 0.4371 0.054 Uiso 1 1 calc R
H37C H 0.3968 0.7965 0.3897 0.054 Uiso 1 1 calc R
C38 C 0.1870(5) 0.3857(4) 0.2233(2) 0.0396(12) Uani 1 1 d .
H38A H 0.1154 0.3238 0.2331 0.059 Uiso 1 1 calc R
H38B H 0.2661 0.3791 0.2421 0.059 Uiso 1 1 calc R
H38C H 0.1864 0.3832 0.1748 0.059 Uiso 1 1 calc R
C39 C -0.0360(5) 0.6688(4) 0.2336(3) 0.0458(13) Uani 1 1 d .
H39A H -0.0044 0.7228 0.203 0.069 Uiso 1 1 calc R
H39B H -0.0687 0.7034 0.2707 0.069 Uiso 1 1 calc R
H39C H -0.1038 0.6034 0.2093 0.069 Uiso 1 1 calc R
C40 C 0.2759(4) 1.1180(3) 0.39680(18) 0.0212(8) Uani 1 1 d .
C41 C 0.2194(4) 1.1951(3) 0.38032(18) 0.0249(9) Uani 1 1 d .
C42 C 0.2912(4) 1.3068(3) 0.3860(2) 0.0292(9) Uani 1 1 d .
H42 H 0.2519 1.3582 0.3743 0.035 Uiso 1 1 calc R
C43 C 0.4197(4) 1.3459(3) 0.40837(19) 0.0268(9) Uani 1 1 d .
C44 C 0.4732(4) 1.2696(3) 0.42777(19) 0.0265(9) Uani 1 1 d .
H44 H 0.5598 1.2951 0.4452 0.032 Uiso 1 1 calc R
C45 C 0.4029(4) 1.1565(3) 0.42223(18) 0.0238(9) Uani 1 1 d .
C46 C 0.0769(4) 1.1604(4) 0.3588(2) 0.0325(10) Uani 1 1 d .
H46A H 0.0335 1.1725 0.3979 0.049 Uiso 1 1 calc R
H46B H 0.0442 1.0813 0.3394 0.049 Uiso 1 1 calc R
H46C H 0.0622 1.2053 0.3255 0.049 Uiso 1 1 calc R
C47 C 0.4986(5) 1.4671(4) 0.4119(2) 0.0398(11) Uani 1 1 d .
H47A H 0.5795 1.4825 0.4389 0.06 Uiso 1 1 calc R
H47B H 0.4536 1.5141 0.4326 0.06 Uiso 1 1 calc R
H47C H 0.5139 1.4836 0.3667 0.06 Uiso 1 1 calc R
C48 C 0.4652(4) 1.0796(3) 0.4483(2) 0.0292(9) Uani 1 1 d .
H48A H 0.4115 1.0353 0.4781 0.044 Uiso 1 1 calc R
H48B H 0.5475 1.1239 0.473 0.044 Uiso 1 1 calc R
H48C H 0.477 1.0296 0.4106 0.044 Uiso 1 1 calc R
C49 C 0.4166(4) 0.8759(4) 0.1252(2) 0.0339(10) Uani 1 1 d .
H49 H 0.4773 0.8739 0.1594 0.041 Uiso 1 1 calc R
C50 C 0.4329(4) 0.9598(4) 0.0852(2) 0.0315(10) Uani 1 1 d .
H50 H 0.5065 1.0235 0.0868 0.038 Uiso 1 1 calc R
C51 C 0.3210(4) 0.9331(4) 0.0421(2) 0.0330(10) Uani 1 1 d .
H51 H 0.305 0.9759 0.0097 0.04 Uiso 1 1 calc R
C52 C 0.2363(5) 0.8308(4) 0.0555(2) 0.0387(11) Uani 1 1 d .
H52 H 0.1534 0.7926 0.0337 0.046 Uiso 1 1 calc R
C53 C 0.2974(5) 0.7960(4) 0.1071(2) 0.0355(11) Uani 1 1 d .
H53 H 0.2632 0.7298 0.1261 0.043 Uiso 1 1 calc R
C54 C 0.1578(4) 1.0775(4) 0.2043(2) 0.0307(10) Uani 1 1 d .
H54 H 0.1954 1.1286 0.2441 0.037 Uiso 1 1 calc R
C55 C 0.0836(4) 0.9654(4) 0.2012(2) 0.0296(9) Uani 1 1 d .
H55 H 0.0603 0.9272 0.2382 0.036 Uiso 1 1 calc R
C56 C 0.0498(4) 0.9195(4) 0.1333(2) 0.0358(11) Uani 1 1 d .
H56 H 0.001 0.8442 0.1161 0.043 Uiso 1 1 calc R
C57 C 0.1009(5) 1.0048(4) 0.0950(2) 0.0416(12) Uani 1 1 d .
H57 H 0.0917 0.9974 0.0475 0.05 Uiso 1 1 calc R
C58 C 0.1676(4) 1.1020(4) 0.1390(3) 0.0385(11) Uani 1 1 d .
H58 H 0.2118 1.1724 0.1269 0.046 Uiso 1 1 calc R
Ti1 Ti 0.26675(7) 0.96560(6) 0.15009(3) 0.02051(15) Uani 1 1 d .
Sb2 Sb 0.34834(2) 0.91437(2) 0.273794(12) 0.02058(7) Uani 1 1 d .
Sb1 Sb 0.45381(2) 1.13496(2) 0.241629(13) 0.02076(7) Uani 1 1 d .
C59 C 0.8034(5) 0.7090(5) 0.0257(2) 0.0487(13) Uani 1 1 d .
D59 D 0.7864 0.7766 0.0361 0.058 Uiso 1 1 calc R
C60 C 0.8812(5) 0.6998(5) -0.0211(2) 0.0436(12) Uani 1 1 d .
D60 D 0.9211 0.7632 -0.0415 0.052 Uiso 1 1 calc R
C61 C 0.9045(5) 0.6049(5) -0.0400(3) 0.0487(13) Uani 1 1 d .
D61 D 0.9592 0.6012 -0.0733 0.058 Uiso 1 1 calc R
C62 C 0.8462(6) 0.5111(5) -0.0093(4) 0.074(2) Uani 1 1 d .
D62 D 0.8575 0.4416 -0.0222 0.089 Uiso 1 1 calc R
C63 C 0.7702(6) 0.5251(6) 0.0413(4) 0.082(2) Uani 1 1 d .
D63 D 0.7322 0.465 0.0647 0.098 Uiso 1 1 calc R
C64 C 0.7509(7) 0.6228(7) 0.0569(3) 0.073(2) Uani 1 1 d .
D64 D 0.6987 0.6304 0.0909 0.087 Uiso 1 1 calc R
C65 C 0.0089(7) 0.4632(5) 0.4346(3) 0.0644(18) Uani 1 1 d .
D65 D 0.0149 0.4374 0.3894 0.077 Uiso 1 1 calc R
C66 C 0.1138(6) 0.4998(6) 0.4805(3) 0.0667(18) Uani 1 1 d .
D66 D 0.1933 0.5003 0.4672 0.08 Uiso 1 1 calc R
C67 C 0.1039(6) 0.5359(5) 0.5460(3) 0.0623(16) Uani 1 1 d .
D67 D 0.1766 0.5605 0.578 0.075 Uiso 1 1 calc R
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 0 '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'
Sb Sb -0.5866 1.5461 '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_site_symmetry_1
C6 C1 C2 118.5(4) .
C6 C1 Sb1 111.1(3) .
C2 C1 Sb1 130.3(3) .
C3 C2 C1 119.5(4) .
C3 C2 C16 115.3(4) .
C1 C2 C16 125.1(3) .
C4 C3 C2 121.0(4) .
C3 C4 C5 119.5(4) .
C4 C5 C6 121.0(4) .
C5 C6 C1 120.1(4) .
C5 C6 C7 116.3(4) .
C1 C6 C7 123.4(4) .
C12 C7 C8 119.1(4) .
C12 C7 C6 123.1(4) .
C8 C7 C6 117.6(4) .
C9 C8 C7 119.1(4) .
C9 C8 C13 119.9(4) .
C7 C8 C13 121.0(4) .
C8 C9 C10 122.6(4) .
C11 C10 C9 117.4(4) .
C11 C10 C14 121.0(4) .
C9 C10 C14 121.7(4) .
C10 C11 C12 122.2(4) .
C11 C12 C7 119.7(4) .
C11 C12 C15 119.0(4) .
C7 C12 C15 121.2(4) .
C21 C16 C17 119.3(4) .
C21 C16 C2 120.4(4) .
C17 C16 C2 119.9(4) .
C18 C17 C16 118.1(4) .
C18 C17 C22 118.9(4) .
C16 C17 C22 123.0(4) .
C19 C18 C17 123.2(4) .
C18 C19 C20 117.7(4) .
C18 C19 C23 120.9(5) .
C20 C19 C23 121.4(5) .
C19 C20 C21 122.0(4) .
C20 C21 C16 119.5(4) .
C20 C21 C24 119.1(4) .
C16 C21 C24 121.2(4) .
C30 C25 C26 118.3(4) .
C30 C25 Sb2 111.5(3) .
C26 C25 Sb2 129.8(3) .
C27 C26 C25 119.3(4) .
C27 C26 C40 115.7(4) .
C25 C26 C40 124.8(4) .
C28 C27 C26 121.3(4) .
C29 C28 C27 119.3(4) .
C28 C29 C30 121.1(4) .
C29 C30 C25 120.6(4) .
C29 C30 C31 115.4(4) .
C25 C30 C31 123.6(4) .
C36 C31 C32 119.3(4) .
C36 C31 C30 121.8(4) .
C32 C31 C30 118.5(4) .
C33 C32 C31 119.6(4) .
C33 C32 C37 119.7(4) .
C31 C32 C37 120.6(4) .
C32 C33 C34 121.9(4) .
C35 C34 C33 117.8(4) .
C35 C34 C38 122.1(4) .
C33 C34 C38 120.1(4) .
C34 C35 C36 122.0(4) .
C35 C36 C31 119.4(4) .
C35 C36 C39 119.1(4) .
C31 C36 C39 121.5(4) .
C45 C40 C41 119.0(4) .
C45 C40 C26 119.7(3) .
C41 C40 C26 121.1(4) .
C42 C41 C40 120.0(4) .
C42 C41 C46 118.0(4) .
C40 C41 C46 121.9(4) .
C41 C42 C43 121.6(4) .
C44 C43 C42 117.8(4) .
C44 C43 C47 120.9(4) .
C42 C43 C47 121.3(4) .
C43 C44 C45 121.6(4) .
C40 C45 C44 119.8(4) .
C40 C45 C48 121.5(4) .
C44 C45 C48 118.6(4) .
C53 C49 C50 109.2(4) .
C53 C49 Ti1 73.1(3) .
C50 C49 Ti1 72.5(3) .
C49 C50 C51 107.7(4) .
C49 C50 Ti1 73.2(2) .
C51 C50 Ti1 71.2(2) .
C50 C51 C52 107.7(4) .
C50 C51 Ti1 74.1(2) .
C52 C51 Ti1 72.7(2) .
C53 C52 C51 107.7(4) .
C53 C52 Ti1 74.2(2) .
C51 C52 Ti1 72.0(2) .
C49 C53 C52 107.7(4) .
C49 C53 Ti1 73.0(3) .
C52 C53 Ti1 71.1(2) .
C58 C54 C55 108.6(4) .
C58 C54 Ti1 72.9(3) .
C55 C54 Ti1 72.0(2) .
C54 C55 C56 107.4(4) .
C54 C55 Ti1 73.8(2) .
C56 C55 Ti1 70.3(2) .
C55 C56 C57 108.1(4) .
C55 C56 Ti1 74.8(2) .
C57 C56 Ti1 73.5(3) .
C58 C57 C56 107.9(4) .
C58 C57 Ti1 74.8(3) .
C56 C57 Ti1 71.2(2) .
C57 C58 C54 108.0(4) .
C57 C58 Ti1 71.0(3) .
C54 C58 Ti1 73.1(2) .
C56 Ti1 C51 103.13(16) .
C56 Ti1 C57 35.25(17) .
C51 Ti1 C57 83.77(17) .
C56 Ti1 C52 84.26(17) .
C51 Ti1 C52 35.26(16) .
C57 Ti1 C52 84.42(17) .
C56 Ti1 C55 34.90(15) .
C51 Ti1 C55 137.68(16) .
C57 Ti1 C55 57.83(16) .
C52 Ti1 C55 116.23(16) .
C56 Ti1 C50 137.60(16) .
C51 Ti1 C50 34.70(15) .
C57 Ti1 C50 115.32(17) .
C52 Ti1 C50 57.78(16) .
C55 Ti1 C50 172.38(15) .
C56 Ti1 C53 102.81(17) .
C51 Ti1 C53 57.87(16) .
C57 Ti1 C53 116.44(18) .
C52 Ti1 C53 34.72(16) .
C55 Ti1 C53 121.41(16) .
C50 Ti1 C53 57.11(16) .
C56 Ti1 C49 136.60(17) .
C51 Ti1 C49 57.37(15) .
C57 Ti1 C49 139.24(16) .
C52 Ti1 C49 57.20(16) .
C55 Ti1 C49 148.63(16) .
C50 Ti1 C49 34.24(15) .
C53 Ti1 C49 33.92(16) .
C56 Ti1 C58 57.61(17) .
C51 Ti1 C58 101.55(17) .
C57 Ti1 C58 34.25(17) .
C52 Ti1 C58 115.72(17) .
C55 Ti1 C58 57.07(16) .
C50 Ti1 C58 119.79(17) .
C53 Ti1 C58 149.89(17) .
C49 Ti1 C58 154.02(17) .
C56 Ti1 C54 57.41(15) .
C51 Ti1 C54 135.50(16) .
C57 Ti1 C54 57.03(16) .
C52 Ti1 C54 139.45(16) .
C55 Ti1 C54 34.20(14) .
C50 Ti1 C54 146.96(16) .
C53 Ti1 C54 155.60(16) .
C49 Ti1 C54 163.23(15) .
C58 Ti1 C54 34.03(15) .
C56 Ti1 Sb2 112.33(12) .
C51 Ti1 Sb2 131.67(12) .
C57 Ti1 Sb2 142.59(13) .
C52 Ti1 Sb2 116.66(12) .
C55 Ti1 Sb2 84.79(11) .
C50 Ti1 Sb2 102.07(11) .
C53 Ti1 Sb2 82.41(11) .
C49 Ti1 Sb2 74.30(11) .
C58 Ti1 Sb2 124.79(12) .
C54 Ti1 Sb2 92.01(11) .
C56 Ti1 Sb1 131.47(12) .
C51 Ti1 Sb1 116.04(12) .
C57 Ti1 Sb1 120.42(13) .
C52 Ti1 Sb1 143.85(12) .
C55 Ti1 Sb1 99.71(11) .
C50 Ti1 Sb1 86.70(11) .
C53 Ti1 Sb1 121.57(12) .
C49 Ti1 Sb1 90.17(12) .
C58 Ti1 Sb1 86.26(12) .
C54 Ti1 Sb1 74.41(10) .
Sb2 Ti1 Sb1 60.461(18) .
C25 Sb2 Ti1 112.61(10) .
C25 Sb2 Sb1 110.90(10) .
Ti1 Sb2 Sb1 59.917(19) .
C1 Sb1 Ti1 108.40(10) .
C1 Sb1 Sb2 109.87(10) .
Ti1 Sb1 Sb2 59.622(18) .
C64 C59 C60 119.5(6) .
C61 C60 C59 122.9(5) .
C60 C61 C62 118.6(5) .
C61 C62 C63 117.0(6) .
C64 C63 C62 120.7(6) .
C59 C64 C63 121.3(6) .
C67 C65 C66 119.7(6) 2_566
C65 C66 C67 119.7(6) .
C65 C67 C66 120.6(6) 2_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.405(5) .
C1 C2 1.413(5) .
C1 Sb1 2.203(4) .
C2 C3 1.411(6) .
C2 C16 1.500(5) .
C3 C4 1.373(6) .
C4 C5 1.387(6) .
C5 C6 1.393(6) .
C6 C7 1.509(6) .
C7 C12 1.405(6) .
C7 C8 1.413(6) .
C8 C9 1.380(6) .
C8 C13 1.507(6) .
C9 C10 1.407(6) .
C10 C11 1.378(6) .
C10 C14 1.516(6) .
C11 C12 1.394(6) .
C12 C15 1.506(6) .
C16 C21 1.402(6) .
C16 C17 1.411(6) .
C17 C18 1.401(6) .
C17 C22 1.502(6) .
C18 C19 1.373(7) .
C19 C20 1.378(6) .
C19 C23 1.519(6) .
C20 C21 1.397(6) .
C21 C24 1.513(6) .
C25 C30 1.405(5) .
C25 C26 1.411(5) .
C25 Sb2 2.208(4) .
C26 C27 1.404(6) .
C26 C40 1.503(5) .
C27 C28 1.384(6) .
C28 C29 1.369(6) .
C29 C30 1.392(6) .
C30 C31 1.509(6) .
C31 C36 1.402(6) .
C31 C32 1.403(6) .
C32 C33 1.379(6) .
C32 C37 1.505(6) .
C33 C34 1.398(6) .
C34 C35 1.382(6) .
C34 C38 1.516(6) .
C35 C36 1.391(6) .
C36 C39 1.521(6) .
C40 C45 1.392(6) .
C40 C41 1.401(5) .
C41 C42 1.383(6) .
C41 C46 1.537(6) .
C42 C43 1.393(6) .
C43 C44 1.389(6) .
C43 C47 1.508(6) .
C44 C45 1.393(6) .
C45 C48 1.510(5) .
C49 C53 1.390(7) .
C49 C50 1.399(6) .
C49 Ti1 2.381(4) .
C50 C51 1.404(6) .
C50 Ti1 2.372(4) .
C51 C52 1.417(7) .
C51 Ti1 2.335(4) .
C52 C53 1.411(6) .
C52 Ti1 2.344(4) .
C53 Ti1 2.384(4) .
C54 C58 1.399(6) .
C54 C55 1.400(6) .
C54 Ti1 2.392(4) .
C55 C56 1.404(6) .
C55 Ti1 2.368(4) .
C56 C57 1.409(7) .
C56 Ti1 2.311(4) .
C57 C58 1.394(7) .
C57 Ti1 2.341(4) .
C58 Ti1 2.390(4) .
Ti1 Sb2 2.8402(8) .
Ti1 Sb1 2.8487(9) .
Sb2 Sb1 2.8642(6) .
C59 C64 1.329(8) .
C59 C60 1.353(7) .
C60 C61 1.344(7) .
C61 C62 1.409(9) .
C62 C63 1.410(10) .
C63 C64 1.345(10) .
C65 C67 1.357(8) 2_566
C65 C66 1.369(8) .
C66 C67 1.375(8) .
C67 C65 1.357(8) 2_566
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_4
C6 C1 C2 C3 -5.0(6) . .
Sb1 C1 C2 C3 176.5(3) . .
C6 C1 C2 C16 171.8(4) . .
Sb1 C1 C2 C16 -6.7(6) . .
C1 C2 C3 C4 0.4(7) . .
C16 C2 C3 C4 -176.7(4) . .
C2 C3 C4 C5 2.9(7) . .
C3 C4 C5 C6 -1.5(8) . .
C4 C5 C6 C1 -3.2(7) . .
C4 C5 C6 C7 171.7(4) . .
C2 C1 C6 C5 6.4(6) . .
Sb1 C1 C6 C5 -174.8(3) . .
C2 C1 C6 C7 -168.1(4) . .
Sb1 C1 C6 C7 10.7(5) . .
C5 C6 C7 C12 78.2(5) . .
C1 C6 C7 C12 -107.1(5) . .
C5 C6 C7 C8 -96.1(5) . .
C1 C6 C7 C8 78.6(5) . .
C12 C7 C8 C9 1.2(6) . .
C6 C7 C8 C9 175.8(4) . .
C12 C7 C8 C13 -178.1(4) . .
C6 C7 C8 C13 -3.6(6) . .
C7 C8 C9 C10 -1.1(7) . .
C13 C8 C9 C10 178.2(4) . .
C8 C9 C10 C11 1.0(7) . .
C8 C9 C10 C14 -178.0(4) . .
C9 C10 C11 C12 -1.0(7) . .
C14 C10 C11 C12 177.9(4) . .
C10 C11 C12 C7 1.2(7) . .
C10 C11 C12 C15 -177.4(4) . .
C8 C7 C12 C11 -1.3(6) . .
C6 C7 C12 C11 -175.5(4) . .
C8 C7 C12 C15 177.3(4) . .
C6 C7 C12 C15 3.1(6) . .
C3 C2 C16 C21 110.4(4) . .
C1 C2 C16 C21 -66.5(5) . .
C3 C2 C16 C17 -61.7(5) . .
C1 C2 C16 C17 121.4(4) . .
C21 C16 C17 C18 4.0(6) . .
C2 C16 C17 C18 176.2(4) . .
C21 C16 C17 C22 -173.1(4) . .
C2 C16 C17 C22 -0.9(6) . .
C16 C17 C18 C19 -1.1(7) . .
C22 C17 C18 C19 176.2(4) . .
C17 C18 C19 C20 -1.9(7) . .
C17 C18 C19 C23 -180.0(4) . .
C18 C19 C20 C21 2.0(7) . .
C23 C19 C20 C21 -180.0(4) . .
C19 C20 C21 C16 0.9(6) . .
C19 C20 C21 C24 -175.5(4) . .
C17 C16 C21 C20 -4.0(6) . .
C2 C16 C21 C20 -176.1(4) . .
C17 C16 C21 C24 172.4(4) . .
C2 C16 C21 C24 0.2(6) . .
C30 C25 C26 C27 -0.2(6) . .
Sb2 C25 C26 C27 -171.9(3) . .
C30 C25 C26 C40 174.8(4) . .
Sb2 C25 C26 C40 3.0(6) . .
C25 C26 C27 C28 -1.0(7) . .
C40 C26 C27 C28 -176.4(4) . .
C26 C27 C28 C29 1.1(7) . .
C27 C28 C29 C30 0.0(8) . .
C28 C29 C30 C25 -1.1(7) . .
C28 C29 C30 C31 173.2(4) . .
C26 C25 C30 C29 1.2(6) . .
Sb2 C25 C30 C29 174.4(3) . .
C26 C25 C30 C31 -172.7(4) . .
Sb2 C25 C30 C31 0.5(5) . .
C29 C30 C31 C36 81.4(5) . .
C25 C30 C31 C36 -104.4(5) . .
C29 C30 C31 C32 -90.5(5) . .
C25 C30 C31 C32 83.7(5) . .
C36 C31 C32 C33 1.4(6) . .
C30 C31 C32 C33 173.5(4) . .
C36 C31 C32 C37 -176.5(4) . .
C30 C31 C32 C37 -4.4(6) . .
C31 C32 C33 C34 -2.0(6) . .
C37 C32 C33 C34 175.9(4) . .
C32 C33 C34 C35 1.0(6) . .
C32 C33 C34 C38 -177.9(4) . .
C33 C34 C35 C36 0.5(6) . .
C38 C34 C35 C36 179.4(4) . .
C34 C35 C36 C31 -1.1(6) . .
C34 C35 C36 C39 -179.9(4) . .
C32 C31 C36 C35 0.1(6) . .
C30 C31 C36 C35 -171.7(4) . .
C32 C31 C36 C39 178.9(4) . .
C30 C31 C36 C39 7.1(6) . .
C27 C26 C40 C45 104.1(5) . .
C25 C26 C40 C45 -71.1(5) . .
C27 C26 C40 C41 -70.5(5) . .
C25 C26 C40 C41 114.4(5) . .
C45 C40 C41 C42 3.5(6) . .
C26 C40 C41 C42 178.0(4) . .
C45 C40 C41 C46 -173.7(4) . .
C26 C40 C41 C46 0.9(6) . .
C40 C41 C42 C43 -0.5(6) . .
C46 C41 C42 C43 176.8(4) . .
C41 C42 C43 C44 -2.7(6) . .
C41 C42 C43 C47 177.6(4) . .
C42 C43 C44 C45 3.0(6) . .
C47 C43 C44 C45 -177.3(4) . .
C41 C40 C45 C44 -3.2(6) . .
C26 C40 C45 C44 -177.8(3) . .
C41 C40 C45 C48 172.9(4) . .
C26 C40 C45 C48 -1.8(5) . .
C43 C44 C45 C40 -0.1(6) . .
C43 C44 C45 C48 -176.2(4) . .
C53 C49 C50 C51 1.1(5) . .
Ti1 C49 C50 C51 -63.3(3) . .
C53 C49 C50 Ti1 64.4(3) . .
C49 C50 C51 C52 -0.8(5) . .
Ti1 C50 C51 C52 -65.4(3) . .
C49 C50 C51 Ti1 64.6(3) . .
C50 C51 C52 C53 0.2(5) . .
Ti1 C51 C52 C53 -66.2(3) . .
C50 C51 C52 Ti1 66.4(3) . .
C50 C49 C53 C52 -1.0(5) . .
Ti1 C49 C53 C52 63.0(3) . .
C50 C49 C53 Ti1 -64.1(3) . .
C51 C52 C53 C49 0.5(5) . .
Ti1 C52 C53 C49 -64.3(3) . .
C51 C52 C53 Ti1 64.7(3) . .
C58 C54 C55 C56 1.4(5) . .
Ti1 C54 C55 C56 -62.7(3) . .
C58 C54 C55 Ti1 64.2(3) . .
C54 C55 C56 C57 -1.5(5) . .
Ti1 C55 C56 C57 -66.5(3) . .
C54 C55 C56 Ti1 65.0(3) . .
C55 C56 C57 C58 1.0(5) . .
Ti1 C56 C57 C58 -66.4(3) . .
C55 C56 C57 Ti1 67.4(3) . .
C56 C57 C58 C54 -0.1(5) . .
Ti1 C57 C58 C54 -64.1(3) . .
C56 C57 C58 Ti1 64.0(3) . .
C55 C54 C58 C57 -0.8(5) . .
Ti1 C54 C58 C57 62.8(3) . .
C55 C54 C58 Ti1 -63.6(3) . .
C55 C56 Ti1 C51 -173.0(3) . .
C57 C56 Ti1 C51 -58.5(3) . .
C55 C56 Ti1 C57 -114.6(4) . .
C55 C56 Ti1 C52 157.0(3) . .
C57 C56 Ti1 C52 -88.4(3) . .
C57 C56 Ti1 C55 114.6(4) . .
C55 C56 Ti1 C50 -177.8(3) . .
C57 C56 Ti1 C50 -63.2(4) . .
C55 C56 Ti1 C53 127.5(3) . .
C57 C56 Ti1 C53 -118.0(3) . .
C55 C56 Ti1 C49 131.0(3) . .
C57 C56 Ti1 C49 -114.5(3) . .
C55 C56 Ti1 C58 -77.5(3) . .
C57 C56 Ti1 C58 37.0(3) . .
C55 C56 Ti1 C54 -36.9(3) . .
C57 C56 Ti1 C54 77.6(3) . .
C55 C56 Ti1 Sb2 40.5(3) . .
C57 C56 Ti1 Sb2 155.0(2) . .
C55 C56 Ti1 Sb1 -29.1(3) . .
C57 C56 Ti1 Sb1 85.4(3) . .
C50 C51 Ti1 C56 -174.3(3) . .
C52 C51 Ti1 C56 -59.5(3) . .
C50 C51 Ti1 C57 156.0(3) . .
C52 C51 Ti1 C57 -89.1(3) . .
C50 C51 Ti1 C52 -114.9(4) . .
C50 C51 Ti1 C55 179.7(3) . .
C52 C51 Ti1 C55 -65.4(4) . .
C52 C51 Ti1 C50 114.9(4) . .
C50 C51 Ti1 C53 -77.3(3) . .
C52 C51 Ti1 C53 37.5(3) . .
C50 C51 Ti1 C49 -36.9(3) . .
C52 C51 Ti1 C49 78.0(3) . .
C50 C51 Ti1 C58 126.6(3) . .
C52 C51 Ti1 C58 -118.6(3) . .
C50 C51 Ti1 C54 129.1(3) . .
C52 C51 Ti1 C54 -116.0(3) . .
C50 C51 Ti1 Sb2 -37.5(3) . .
C52 C51 Ti1 Sb2 77.4(3) . .
C50 C51 Ti1 Sb1 35.1(3) . .
C52 C51 Ti1 Sb1 150.0(2) . .
C58 C57 Ti1 C56 115.4(4) . .
C58 C57 Ti1 C51 -121.2(3) . .
C56 C57 Ti1 C51 123.4(3) . .
C58 C57 Ti1 C52 -156.7(3) . .
C56 C57 Ti1 C52 87.9(3) . .
C58 C57 Ti1 C55 77.5(3) . .
C56 C57 Ti1 C55 -37.9(3) . .
C58 C57 Ti1 C50 -106.4(3) . .
C56 C57 Ti1 C50 138.2(3) . .
C58 C57 Ti1 C53 -170.5(3) . .
C56 C57 Ti1 C53 74.1(3) . .
C58 C57 Ti1 C49 -137.9(3) . .
C56 C57 Ti1 C49 106.7(3) . .
C56 C57 Ti1 C58 -115.4(4) . .
C58 C57 Ti1 C54 36.6(3) . .
C56 C57 Ti1 C54 -78.8(3) . .
C58 C57 Ti1 Sb2 75.4(4) . .
C56 C57 Ti1 Sb2 -40.0(4) . .
C58 C57 Ti1 Sb1 -4.6(3) . .
C56 C57 Ti1 Sb1 -120.0(3) . .
C53 C52 Ti1 C56 -122.4(3) . .
C51 C52 Ti1 C56 122.5(3) . .
C53 C52 Ti1 C51 115.1(4) . .
C53 C52 Ti1 C57 -157.9(3) . .
C51 C52 Ti1 C57 87.1(3) . .
C53 C52 Ti1 C55 -108.0(3) . .
C51 C52 Ti1 C55 137.0(3) . .
C53 C52 Ti1 C50 77.4(3) . .
C51 C52 Ti1 C50 -37.6(3) . .
C51 C52 Ti1 C53 -115.1(4) . .
C53 C52 Ti1 C49 36.6(3) . .
C51 C52 Ti1 C49 -78.5(3) . .
C53 C52 Ti1 C58 -172.2(3) . .
C51 C52 Ti1 C58 72.8(3) . .
C53 C52 Ti1 C54 -140.6(3) . .
C51 C52 Ti1 C54 104.3(3) . .
C53 C52 Ti1 Sb2 -10.3(3) . .
C51 C52 Ti1 Sb2 -125.3(2) . .
C53 C52 Ti1 Sb1 65.4(4) . .
C51 C52 Ti1 Sb1 -49.7(4) . .
C54 C55 Ti1 C56 -115.7(4) . .
C54 C55 Ti1 C51 -105.6(3) . .
C56 C55 Ti1 C51 10.1(4) . .
C54 C55 Ti1 C57 -77.4(3) . .
C56 C55 Ti1 C57 38.3(3) . .
C54 C55 Ti1 C52 -141.4(3) . .
C56 C55 Ti1 C52 -25.7(3) . .
C54 C55 Ti1 C53 179.2(2) . .
C56 C55 Ti1 C53 -65.1(3) . .
C54 C55 Ti1 C49 149.2(3) . .
C56 C55 Ti1 C49 -95.1(4) . .
C54 C55 Ti1 C58 -36.5(3) . .
C56 C55 Ti1 C58 79.2(3) . .
C56 C55 Ti1 C54 115.7(4) . .
C54 C55 Ti1 Sb2 101.4(2) . .
C56 C55 Ti1 Sb2 -142.9(3) . .
C54 C55 Ti1 Sb1 42.5(3) . .
C56 C55 Ti1 Sb1 158.3(3) . .
C49 C50 Ti1 C56 -107.8(3) . .
C51 C50 Ti1 C56 8.2(4) . .
C49 C50 Ti1 C51 -116.0(4) . .
C49 C50 Ti1 C57 -142.6(3) . .
C51 C50 Ti1 C57 -26.6(3) . .
C49 C50 Ti1 C52 -77.8(3) . .
C51 C50 Ti1 C52 38.3(3) . .
C49 C50 Ti1 C53 -36.3(3) . .
C51 C50 Ti1 C53 79.7(3) . .
C51 C50 Ti1 C49 116.0(4) . .
C49 C50 Ti1 C58 178.9(3) . .
C51 C50 Ti1 C58 -65.1(3) . .
C49 C50 Ti1 C54 149.5(3) . .
C51 C50 Ti1 C54 -94.5(4) . .
C49 C50 Ti1 Sb2 36.3(3) . .
C51 C50 Ti1 Sb2 152.3(3) . .
C49 C50 Ti1 Sb1 95.2(3) . .
C51 C50 Ti1 Sb1 -148.8(3) . .
C49 C53 Ti1 C56 175.6(3) . .
C52 C53 Ti1 C56 59.5(3) . .
C49 C53 Ti1 C51 78.0(3) . .
C52 C53 Ti1 C51 -38.1(3) . .
C49 C53 Ti1 C57 140.9(3) . .
C52 C53 Ti1 C57 24.8(3) . .
C49 C53 Ti1 C52 116.2(4) . .
C49 C53 Ti1 C55 -152.2(3) . .
C52 C53 Ti1 C55 91.6(3) . .
C49 C53 Ti1 C50 36.6(3) . .
C52 C53 Ti1 C50 -79.5(3) . .
C52 C53 Ti1 C49 -116.2(4) . .
C49 C53 Ti1 C58 130.3(4) . .
C52 C53 Ti1 C58 14.1(5) . .
C49 C53 Ti1 C54 -151.1(4) . .
C52 C53 Ti1 C54 92.7(4) . .
C49 C53 Ti1 Sb2 -73.1(3) . .
C52 C53 Ti1 Sb2 170.7(3) . .
C49 C53 Ti1 Sb1 -24.8(3) . .
C52 C53 Ti1 Sb1 -141.0(3) . .
C53 C49 Ti1 C56 -6.2(4) . .
C50 C49 Ti1 C56 110.9(3) . .
C53 C49 Ti1 C51 -79.7(3) . .
C50 C49 Ti1 C51 37.4(3) . .
C53 C49 Ti1 C57 -59.8(4) . .
C50 C49 Ti1 C57 57.3(4) . .
C53 C49 Ti1 C52 -37.5(3) . .
C50 C49 Ti1 C52 79.6(3) . .
C53 C49 Ti1 C55 49.9(4) . .
C50 C49 Ti1 C55 166.9(3) . .
C53 C49 Ti1 C50 -117.1(4) . .
C50 C49 Ti1 C53 117.1(4) . .
C53 C49 Ti1 C58 -119.2(4) . .
C50 C49 Ti1 C58 -2.1(5) . .
C53 C49 Ti1 C54 136.2(5) . .
C50 C49 Ti1 C54 -106.7(6) . .
C53 C49 Ti1 Sb2 99.9(3) . .
C50 C49 Ti1 Sb2 -143.0(3) . .
C53 C49 Ti1 Sb1 159.0(3) . .
C50 C49 Ti1 Sb1 -83.9(3) . .
C57 C58 Ti1 C56 -38.1(3) . .
C54 C58 Ti1 C56 78.4(3) . .
C57 C58 Ti1 C51 60.2(3) . .
C54 C58 Ti1 C51 176.8(3) . .
C54 C58 Ti1 C57 116.6(4) . .
C57 C58 Ti1 C52 26.0(4) . .
C54 C58 Ti1 C52 142.5(3) . .
C57 C58 Ti1 C55 -79.9(3) . .
C54 C58 Ti1 C55 36.7(2) . .
C57 C58 Ti1 C50 92.0(3) . .
C54 C58 Ti1 C50 -151.4(3) . .
C57 C58 Ti1 C53 17.1(5) . .
C54 C58 Ti1 C53 133.7(3) . .
C57 C58 Ti1 C49 93.4(4) . .
C54 C58 Ti1 C49 -150.1(3) . .
C57 C58 Ti1 C54 -116.6(4) . .
C57 C58 Ti1 Sb2 -134.3(3) . .
C54 C58 Ti1 Sb2 -17.7(3) . .
C57 C58 Ti1 Sb1 176.0(3) . .
C54 C58 Ti1 Sb1 -67.4(3) . .
C58 C54 Ti1 C56 -79.1(3) . .
C55 C54 Ti1 C56 37.7(3) . .
C58 C54 Ti1 C51 -4.5(4) . .
C55 C54 Ti1 C51 112.3(3) . .
C58 C54 Ti1 C57 -36.9(3) . .
C55 C54 Ti1 C57 79.9(3) . .
C58 C54 Ti1 C52 -57.5(4) . .
C55 C54 Ti1 C52 59.3(4) . .
C58 C54 Ti1 C55 -116.8(4) . .
C58 C54 Ti1 C50 49.6(4) . .
C55 C54 Ti1 C50 166.4(3) . .
C58 C54 Ti1 C53 -118.5(4) . .
C55 C54 Ti1 C53 -1.7(5) . .
C58 C54 Ti1 C49 130.8(5) . .
C55 C54 Ti1 C49 -112.4(6) . .
C55 C54 Ti1 C58 116.8(4) . .
C58 C54 Ti1 Sb2 165.5(3) . .
C55 C54 Ti1 Sb2 -77.7(2) . .
C58 C54 Ti1 Sb1 107.0(3) . .
C55 C54 Ti1 Sb1 -136.2(3) . .
C30 C25 Sb2 Ti1 103.0(3) . .
C26 C25 Sb2 Ti1 -84.9(4) . .
C30 C25 Sb2 Sb1 168.0(2) . .
C26 C25 Sb2 Sb1 -19.8(4) . .
C56 Ti1 Sb2 C25 -24.32(17) . .
C51 Ti1 Sb2 C25 -158.29(19) . .
C57 Ti1 Sb2 C25 -0.7(2) . .
C52 Ti1 Sb2 C25 -119.21(18) . .
C55 Ti1 Sb2 C25 -2.41(15) . .
C50 Ti1 Sb2 C25 -179.03(16) . .
C53 Ti1 Sb2 C25 -125.10(16) . .
C49 Ti1 Sb2 C25 -158.79(16) . .
C58 Ti1 Sb2 C25 40.87(18) . .
C54 Ti1 Sb2 C25 31.06(15) . .
Sb1 Ti1 Sb2 C25 101.85(11) . .
C56 Ti1 Sb2 Sb1 -126.17(13) . .
C51 Ti1 Sb2 Sb1 99.86(16) . .
C57 Ti1 Sb2 Sb1 -102.5(2) . .
C52 Ti1 Sb2 Sb1 138.94(14) . .
C55 Ti1 Sb2 Sb1 -104.26(11) . .
C50 Ti1 Sb2 Sb1 79.12(11) . .
C53 Ti1 Sb2 Sb1 133.05(12) . .
C49 Ti1 Sb2 Sb1 99.36(12) . .
C58 Ti1 Sb2 Sb1 -60.98(14) . .
C54 Ti1 Sb2 Sb1 -70.79(10) . .
C6 C1 Sb1 Ti1 95.6(3) . .
C2 C1 Sb1 Ti1 -85.8(3) . .
C6 C1 Sb1 Sb2 159.0(2) . .
C2 C1 Sb1 Sb2 -22.4(4) . .
C56 Ti1 Sb1 C1 -162.6(2) . .
C51 Ti1 Sb1 C1 -22.28(17) . .
C57 Ti1 Sb1 C1 -120.73(18) . .
C52 Ti1 Sb1 C1 7.1(2) . .
C55 Ti1 Sb1 C1 -178.99(15) . .
C50 Ti1 Sb1 C1 -3.14(16) . .
C53 Ti1 Sb1 C1 44.48(17) . .
C49 Ti1 Sb1 C1 30.93(15) . .
C58 Ti1 Sb1 C1 -123.31(16) . .
C54 Ti1 Sb1 C1 -155.75(15) . .
Sb2 Ti1 Sb1 C1 102.72(11) . .
C56 Ti1 Sb1 Sb2 94.70(17) . .
C51 Ti1 Sb1 Sb2 -125.00(13) . .
C57 Ti1 Sb1 Sb2 136.56(15) . .
C52 Ti1 Sb1 Sb2 -95.7(2) . .
C55 Ti1 Sb1 Sb2 78.29(11) . .
C50 Ti1 Sb1 Sb2 -105.86(12) . .
C53 Ti1 Sb1 Sb2 -58.23(13) . .
C49 Ti1 Sb1 Sb2 -71.78(11) . .
C58 Ti1 Sb1 Sb2 133.97(12) . .
C54 Ti1 Sb1 Sb2 101.54(11) . .
C25 Sb2 Sb1 C1 155.05(14) . .
Ti1 Sb2 Sb1 C1 -100.21(10) . .
C25 Sb2 Sb1 Ti1 -104.74(10) . .
C64 C59 C60 C61 2.9(8) . .
C59 C60 C61 C62 -0.5(8) . .
C60 C61 C62 C63 -2.3(9) . .
C61 C62 C63 C64 2.9(10) . .
C60 C59 C64 C63 -2.3(10) . .
C62 C63 C64 C59 -0.6(11) . .
C67 C65 C66 C67 0.7(12) 2_566 .
C65 C66 C67 C65 -0.8(12) . 2_566
