#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:29:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179181 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/29/4312936.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_4312936
loop_
_publ_author_name
'Józef Utko'
'Szymon Przybylak'
'Lucjan B. Jerzykiewicz'
'Krzysztof Mierzwicki'
'Zdzisław Latajka'
'Piotr Sobota'
_publ_section_title
;
 The First Structurally Characterized Nonorganometallic Titanium(III)
 Alkoxo-Bridged Dinuclear Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              267
_journal_page_last               269
_journal_paper_doi               10.1021/ic020622g
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety         'C16 H34 Cl4 O5 Ti2'
_chemical_formula_sum            'C16 H34 Cl4 O5 Ti2'
_chemical_formula_weight         544.03
_chemical_name_systematic
;
 ?
;
_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           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.72(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.116(2)
_cell_length_b                   17.305(3)
_cell_length_c                   16.951(3)
_cell_measurement_reflns_used    2841
_cell_measurement_temperature    100.0(5)
_cell_measurement_theta_max      28
_cell_measurement_theta_min      3
_cell_volume                     2353.2(9)
_computing_cell_refinement
' KM4CCD software, version 1.161, Wroclaw 1995-1999'
_computing_data_collection       ' KM4CCD system, Wroclaw 1995-1999'
_computing_data_reduction
' KM4CCD software, version 1.161, Wroclaw 1995-1999'
_computing_molecular_graphics    'SHELXTL-NT V5.1, Bruker AXS 1999'
_computing_publication_material  'SHELXTL-NT V5.1, Bruker AXS 1999'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100.0(5)
_diffrn_measured_fraction_theta_full 0.734
_diffrn_measured_fraction_theta_max 0.734
_diffrn_measurement_device_type  'Kuma CCDKM4 kappa-axis diffractometer'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0375
_diffrn_reflns_av_sigmaI/netI    0.0565
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11302
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         3.45
_exptl_absorpt_coefficient_mu    0.210
_exptl_absorpt_correction_T_max  0.8960
_exptl_absorpt_correction_T_min  0.6444
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details
;
Sheldrick, G.M. (anon) SHELX97 Release 97-2 (1998)
I/sigma threshold for reflections     =   5.000
Delta(U)/lambda**2                    =   0.000
Highest even order spherical harmonic =       6
Highest odd  order spherical harmonic =       3
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.377
_refine_diff_density_min         -0.492
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     246
_refine_ls_number_reflns         4283
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.054
_refine_ls_R_factor_all          0.0561
_refine_ls_R_factor_gt           0.0435
_refine_ls_shift/su_max          0.148
_refine_ls_shift/su_mean         0.018
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0381P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0791
_refine_ls_wR_factor_ref         0.0838
_reflns_number_gt                3836
_reflns_number_total             4283
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic020622g_2.cif
_cod_data_source_block           "'compound_4_C16H34Cl4O5Ti2'"
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' tag value 'monoclnic' was replaced with
'monoclinic' value as specified in the replacement file
'/home/robertas/cod-tools/perl-scripts/inputs/replacement_values.lst'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2353.2(8)
_cod_database_code               4312936
#BEGIN Tags that were not found in dictionaries:
_exptl_absorpt_factor_mur        0.000
_exptl_absorpt_rmerge_before     0.0461
_exptl_absorpt_rmerge_after      0.0435
#END Tags that were not found in dictionaries
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_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
Ti1 Ti 0.28714(7) 0.08448(3) 0.20020(3) 0.01360(13) Uani 1 1 d . . .
Ti2 Ti 0.23426(7) 0.19165(3) 0.09193(3) 0.01414(13) Uani 1 1 d . . .
Cl1 Cl 0.53117(10) 0.09568(4) 0.29682(5) 0.02011(18) Uani 1 1 d . . .
Cl2 Cl 0.31616(10) -0.05051(4) 0.17818(5) 0.02019(18) Uani 1 1 d . . .
Cl3 Cl 0.43901(10) 0.28894(4) 0.08715(5) 0.02058(18) Uani 1 1 d . . .
Cl4 Cl 0.02343(9) 0.09181(4) 0.10471(4) 0.01724(17) Uani 1 1 d . . .
O10 O 0.1428(3) 0.05792(11) 0.29077(12) 0.0176(5) Uani 1 1 d . . .
O20 O 0.0432(3) 0.27837(11) 0.07968(13) 0.0178(5) Uani 1 1 d . . .
O30 O 0.1904(3) 0.17444(11) -0.03409(12) 0.0178(5) Uani 1 1 d . . .
O1 O 0.2421(3) 0.19816(11) 0.20861(12) 0.0159(5) Uani 1 1 d . . .
O2 O 0.4029(3) 0.11096(11) 0.10966(12) 0.0154(5) Uani 1 1 d . . .
C11 C -0.0237(4) 0.08588(18) 0.29914(18) 0.0196(7) Uani 1 1 d . . .
H11A H -0.1089 0.0563 0.2658 0.023 Uiso 1 1 calc R . .
H11B H -0.0361 0.1400 0.2845 0.023 Uiso 1 1 calc R . .
C12 C -0.0356(4) 0.07459(18) 0.38592(19) 0.0227(7) Uani 1 1 d . . .
H12A H -0.1507 0.0705 0.3946 0.027 Uiso 1 1 calc R . .
H12B H 0.0180 0.1164 0.4182 0.027 Uiso 1 1 calc R . .
C13 C 0.0583(4) -0.00218(18) 0.4041(2) 0.0246(8) Uani 1 1 d . . .
H13A H 0.1031 -0.0062 0.4603 0.029 Uiso 1 1 calc R . .
H13B H -0.0143 -0.0460 0.3889 0.029 Uiso 1 1 calc R . .
C14 C 0.1959(4) 0.00178(19) 0.3539(2) 0.0254(8) Uani 1 1 d . . .
H14A H 0.2992 0.0182 0.3860 0.031 Uiso 1 1 calc R . .
H14B H 0.2134 -0.0485 0.3312 0.031 Uiso 1 1 calc R . .
C21 C 0.0385(4) 0.35100(17) 0.0333(2) 0.0217(7) Uani 1 1 d . . .
H21A H 0.0208 0.3403 -0.0235 0.026 Uiso 1 1 calc R . .
H21B H 0.1422 0.3793 0.0467 0.026 Uiso 1 1 calc R . .
C22 C -0.1065(4) 0.39696(18) 0.0565(2) 0.0239(8) Uani 1 1 d . . .
H22A H -0.2074 0.3884 0.0189 0.029 Uiso 1 1 calc R . .
H22B H -0.0818 0.4518 0.0589 0.029 Uiso 1 1 calc R . .
C23 C -0.1247(4) 0.36567(18) 0.1387(2) 0.0237(8) Uani 1 1 d . . .
H23A H -0.0441 0.3889 0.1800 0.028 Uiso 1 1 calc R . .
H23B H -0.2361 0.3742 0.1510 0.028 Uiso 1 1 calc R . .
C24 C -0.0901(4) 0.28041(18) 0.1292(2) 0.0231(8) Uani 1 1 d . . .
H24A H -0.0541 0.2564 0.1806 0.028 Uiso 1 1 calc R . .
H24B H -0.1887 0.2539 0.1030 0.028 Uiso 1 1 calc R . .
C31 C 0.1388(4) 0.09904(17) -0.07220(18) 0.0219(7) Uani 1 1 d . . .
H31A H 0.0232 0.0881 -0.0680 0.026 Uiso 1 1 calc R . .
H31B H 0.2075 0.0576 -0.0467 0.026 Uiso 1 1 calc R . .
C32 C 0.1616(4) 0.10659(18) -0.15864(19) 0.0239(8) Uani 1 1 d . . .
H32A H 0.0549 0.1133 -0.1924 0.029 Uiso 1 1 calc R . .
H32B H 0.2157 0.0611 -0.1761 0.029 Uiso 1 1 calc R . .
C33 C 0.2713(4) 0.17825(19) -0.1618(2) 0.0259(8) Uani 1 1 d . . .
H33A H 0.3887 0.1649 -0.1516 0.031 Uiso 1 1 calc R . .
H33B H 0.2472 0.2038 -0.2132 0.031 Uiso 1 1 calc R . .
C34 C 0.2230(4) 0.22854(17) -0.09573(19) 0.0228(8) Uani 1 1 d . . .
H34A H 0.3130 0.2635 -0.0754 0.027 Uiso 1 1 calc R . .
H34B H 0.1242 0.2587 -0.1149 0.027 Uiso 1 1 calc R . .
C1 C 0.2992(4) 0.25929(17) 0.26386(18) 0.0211(7) Uani 1 1 d . . .
H1A H 0.2543 0.3082 0.2424 0.025 Uiso 1 1 calc R . .
H1B H 0.4198 0.2624 0.2701 0.025 Uiso 1 1 calc R . .
C2 C 0.2464(4) 0.24603(18) 0.3445(2) 0.0261(8) Uani 1 1 d . . .
H2A H 0.1270 0.2479 0.3393 0.039 Uiso 1 1 calc R . .
H2B H 0.2935 0.2855 0.3809 0.039 Uiso 1 1 calc R . .
H2C H 0.2850 0.1963 0.3645 0.039 Uiso 1 1 calc R . .
C3 C 0.5713(4) 0.09678(18) 0.09673(19) 0.0198(7) Uani 1 1 d . . .
H3A H 0.6026 0.0445 0.1132 0.024 Uiso 1 1 calc R . .
H3B H 0.6456 0.1320 0.1294 0.024 Uiso 1 1 calc R . .
C4 C 0.5917(4) 0.1072(2) 0.0102(2) 0.0262(8) Uani 1 1 d . . .
H4A H 0.5188 0.0723 -0.0223 0.039 Uiso 1 1 calc R . .
H4B H 0.7051 0.0967 0.0039 0.039 Uiso 1 1 calc R . .
H4C H 0.5642 0.1594 -0.0059 0.039 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 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
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
O2 Ti1 O1 86.62(8) . . ?
O2 Ti1 O10 174.96(9) . . ?
O1 Ti1 O10 91.97(8) . . ?
O2 Ti1 Cl1 94.12(7) . . ?
O1 Ti1 Cl1 90.74(6) . . ?
O10 Ti1 Cl1 90.73(7) . . ?
O2 Ti1 Cl2 92.05(6) . . ?
O1 Ti1 Cl2 173.69(7) . . ?
O10 Ti1 Cl2 88.83(6) . . ?
Cl1 Ti1 Cl2 95.51(3) . . ?
O2 Ti1 Cl4 86.90(7) . . ?
O1 Ti1 Cl4 81.26(6) . . ?
O10 Ti1 Cl4 88.11(7) . . ?
Cl1 Ti1 Cl4 171.87(3) . . ?
Cl2 Ti1 Cl4 92.51(3) . . ?
O2 Ti1 Ti2 48.03(6) . . ?
O1 Ti1 Ti2 48.64(6) . . ?
O10 Ti1 Ti2 128.07(6) . . ?
Cl1 Ti1 Ti2 117.33(4) . . ?
Cl2 Ti1 Ti2 126.77(3) . . ?
Cl4 Ti1 Ti2 57.96(3) . . ?
O2 Ti2 O1 88.35(9) . . ?
O2 Ti2 O30 93.50(9) . . ?
O1 Ti2 O30 170.93(9) . . ?
O2 Ti2 O20 176.22(9) . . ?
O1 Ti2 O20 88.28(9) . . ?
O30 Ti2 O20 89.56(9) . . ?
O2 Ti2 Cl3 91.98(7) . . ?
O1 Ti2 Cl3 94.44(7) . . ?
O30 Ti2 Cl3 94.37(7) . . ?
O20 Ti2 Cl3 89.99(6) . . ?
O2 Ti2 Cl4 87.98(7) . . ?
O1 Ti2 Cl4 82.48(7) . . ?
O30 Ti2 Cl4 88.72(7) . . ?
O20 Ti2 Cl4 89.87(6) . . ?
Cl3 Ti2 Cl4 176.92(4) . . ?
O2 Ti2 Ti1 48.85(6) . . ?
O1 Ti2 Ti1 49.90(6) . . ?
O30 Ti2 Ti1 126.33(6) . . ?
O20 Ti2 Ti1 127.39(7) . . ?
Cl3 Ti2 Ti1 119.23(4) . . ?
Cl4 Ti2 Ti1 58.67(3) . . ?
Ti2 Cl4 Ti1 63.37(3) . . ?
C14 O10 C11 108.8(2) . . ?
C14 O10 Ti1 122.77(18) . . ?
C11 O10 Ti1 128.26(17) . . ?
C24 O20 C21 108.8(2) . . ?
C24 O20 Ti2 123.12(17) . . ?
C21 O20 Ti2 127.27(18) . . ?
C34 O30 C31 108.8(2) . . ?
C34 O30 Ti2 127.45(17) . . ?
C31 O30 Ti2 123.41(17) . . ?
C1 O1 Ti2 130.65(18) . . ?
C1 O1 Ti1 136.05(18) . . ?
Ti2 O1 Ti1 81.46(8) . . ?
C3 O2 Ti2 139.59(18) . . ?
C3 O2 Ti1 130.93(18) . . ?
Ti2 O2 Ti1 83.11(9) . . ?
O10 C11 C12 104.5(2) . . ?
C11 C12 C13 101.8(3) . . ?
C14 C13 C12 103.6(3) . . ?
O10 C14 C13 106.4(3) . . ?
O20 C21 C22 105.4(2) . . ?
C21 C22 C23 103.7(3) . . ?
C24 C23 C22 101.8(3) . . ?
O20 C24 C23 104.4(2) . . ?
O30 C31 C32 106.1(2) . . ?
C31 C32 C33 105.2(3) . . ?
C34 C33 C32 102.8(3) . . ?
O30 C34 C33 104.9(2) . . ?
O1 C1 C2 111.6(3) . . ?
O2 C3 C4 112.0(3) . . ?
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 O2 1.971(2) . ?
Ti1 O1 2.010(2) . ?
Ti1 O10 2.118(2) . ?
Ti1 Cl1 2.3788(14) . ?
Ti1 Cl2 2.3830(10) . ?
Ti1 Cl4 2.4833(14) . ?
Ti1 Ti2 2.5987(8) . ?
Ti2 O2 1.946(2) . ?
Ti2 O1 1.972(2) . ?
Ti2 O30 2.133(2) . ?
Ti2 O20 2.145(2) . ?
Ti2 Cl3 2.3757(10) . ?
Ti2 Cl4 2.4641(10) . ?
O10 C14 1.461(4) . ?
O10 C11 1.463(4) . ?
O20 C24 1.467(4) . ?
O20 C21 1.480(3) . ?
O30 C34 1.457(3) . ?
O30 C31 1.488(3) . ?
O1 C1 1.442(3) . ?
O2 C3 1.438(4) . ?
C11 C12 1.502(4) . ?
C12 C13 1.539(4) . ?
C13 C14 1.504(4) . ?
C21 C22 1.522(4) . ?
C22 C23 1.522(4) . ?
C23 C24 1.515(4) . ?
C31 C32 1.510(4) . ?
C32 C33 1.533(4) . ?
C33 C34 1.516(4) . ?
C1 C2 1.511(4) . ?
C3 C4 1.512(4) . ?
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
O1 Ti1 Ti2 O2 133.31(11) . . . . ?
O10 Ti1 Ti2 O2 -175.83(11) . . . . ?
Cl1 Ti1 Ti2 O2 69.14(8) . . . . ?
Cl2 Ti1 Ti2 O2 -52.27(9) . . . . ?
Cl4 Ti1 Ti2 O2 -118.50(8) . . . . ?
O2 Ti1 Ti2 O1 -133.31(11) . . . . ?
O10 Ti1 Ti2 O1 50.86(11) . . . . ?
Cl1 Ti1 Ti2 O1 -64.17(9) . . . . ?
Cl2 Ti1 Ti2 O1 174.41(9) . . . . ?
Cl4 Ti1 Ti2 O1 108.19(9) . . . . ?
O2 Ti1 Ti2 O30 57.19(11) . . . . ?
O1 Ti1 Ti2 O30 -169.50(11) . . . . ?
O10 Ti1 Ti2 O30 -118.64(11) . . . . ?
Cl1 Ti1 Ti2 O30 126.33(8) . . . . ?
Cl2 Ti1 Ti2 O30 4.92(9) . . . . ?
Cl4 Ti1 Ti2 O30 -61.30(8) . . . . ?
O2 Ti1 Ti2 O20 -179.44(11) . . . . ?
O1 Ti1 Ti2 O20 -46.13(11) . . . . ?
O10 Ti1 Ti2 O20 4.73(11) . . . . ?
Cl1 Ti1 Ti2 O20 -110.30(8) . . . . ?
Cl2 Ti1 Ti2 O20 128.29(8) . . . . ?
Cl4 Ti1 Ti2 O20 62.06(8) . . . . ?
O2 Ti1 Ti2 Cl3 -64.13(9) . . . . ?
O1 Ti1 Ti2 Cl3 69.18(9) . . . . ?
O10 Ti1 Ti2 Cl3 120.04(8) . . . . ?
Cl1 Ti1 Ti2 Cl3 5.01(5) . . . . ?
Cl2 Ti1 Ti2 Cl3 -116.40(5) . . . . ?
Cl4 Ti1 Ti2 Cl3 177.38(4) . . . . ?
O2 Ti1 Ti2 Cl4 118.50(8) . . . . ?
O1 Ti1 Ti2 Cl4 -108.19(9) . . . . ?
O10 Ti1 Ti2 Cl4 -57.33(8) . . . . ?
Cl1 Ti1 Ti2 Cl4 -172.37(4) . . . . ?
Cl2 Ti1 Ti2 Cl4 66.22(5) . . . . ?
O2 Ti2 Cl4 Ti1 41.47(6) . . . . ?
O1 Ti2 Cl4 Ti1 -47.13(6) . . . . ?
O30 Ti2 Cl4 Ti1 135.02(6) . . . . ?
O20 Ti2 Cl4 Ti1 -135.42(6) . . . . ?
Cl3 Ti2 Cl4 Ti1 -48.0(7) . . . . ?
O2 Ti1 Cl4 Ti2 -40.87(6) . . . . ?
O1 Ti1 Cl4 Ti2 46.18(7) . . . . ?
O10 Ti1 Cl4 Ti2 138.46(6) . . . . ?
Cl1 Ti1 Cl4 Ti2 56.6(3) . . . . ?
Cl2 Ti1 Cl4 Ti2 -132.80(4) . . . . ?
O2 Ti1 O10 C14 149.2(9) . . . . ?
O1 Ti1 O10 C14 -137.2(2) . . . . ?
Cl1 Ti1 O10 C14 -46.4(2) . . . . ?
Cl2 Ti1 O10 C14 49.0(2) . . . . ?
Cl4 Ti1 O10 C14 141.6(2) . . . . ?
Ti2 Ti1 O10 C14 -172.8(2) . . . . ?
O2 Ti1 O10 C11 -26.4(11) . . . . ?
O1 Ti1 O10 C11 47.2(2) . . . . ?
Cl1 Ti1 O10 C11 138.0(2) . . . . ?
Cl2 Ti1 O10 C11 -126.5(2) . . . . ?
Cl4 Ti1 O10 C11 -33.9(2) . . . . ?
Ti2 Ti1 O10 C11 11.6(3) . . . . ?
O2 Ti2 O20 C24 -12.6(14) . . . . ?
O1 Ti2 O20 C24 -39.7(2) . . . . ?
O30 Ti2 O20 C24 131.5(2) . . . . ?
Cl3 Ti2 O20 C24 -134.1(2) . . . . ?
Cl4 Ti2 O20 C24 42.8(2) . . . . ?
Ti1 Ti2 O20 C24 -6.2(2) . . . . ?
O2 Ti2 O20 C21 155.7(12) . . . . ?
O1 Ti2 O20 C21 128.6(2) . . . . ?
O30 Ti2 O20 C21 -60.2(2) . . . . ?
Cl3 Ti2 O20 C21 34.2(2) . . . . ?
Cl4 Ti2 O20 C21 -148.9(2) . . . . ?
Ti1 Ti2 O20 C21 162.1(2) . . . . ?
O2 Ti2 O30 C34 -115.0(2) . . . . ?
O1 Ti2 O30 C34 143.4(5) . . . . ?
O20 Ti2 O30 C34 67.2(2) . . . . ?
Cl3 Ti2 O30 C34 -22.7(2) . . . . ?
Cl4 Ti2 O30 C34 157.1(2) . . . . ?
Ti1 Ti2 O30 C34 -154.3(2) . . . . ?
O2 Ti2 O30 C31 57.3(2) . . . . ?
O1 Ti2 O30 C31 -44.3(6) . . . . ?
O20 Ti2 O30 C31 -120.5(2) . . . . ?
Cl3 Ti2 O30 C31 149.5(2) . . . . ?
Cl4 Ti2 O30 C31 -30.6(2) . . . . ?
Ti1 Ti2 O30 C31 17.9(2) . . . . ?
O2 Ti2 O1 C1 112.9(2) . . . . ?
O30 Ti2 O1 C1 -145.1(5) . . . . ?
O20 Ti2 O1 C1 -68.8(2) . . . . ?
Cl3 Ti2 O1 C1 21.1(2) . . . . ?
Cl4 Ti2 O1 C1 -158.9(2) . . . . ?
Ti1 Ti2 O1 C1 146.2(3) . . . . ?
O2 Ti2 O1 Ti1 -33.24(8) . . . . ?
O30 Ti2 O1 Ti1 68.7(5) . . . . ?
O20 Ti2 O1 Ti1 145.04(8) . . . . ?
Cl3 Ti2 O1 Ti1 -125.10(6) . . . . ?
Cl4 Ti2 O1 Ti1 54.94(5) . . . . ?
O2 Ti1 O1 C1 -109.7(3) . . . . ?
O10 Ti1 O1 C1 75.2(3) . . . . ?
Cl1 Ti1 O1 C1 -15.6(3) . . . . ?
Cl2 Ti1 O1 C1 172.3(5) . . . . ?
Cl4 Ti1 O1 C1 162.9(3) . . . . ?
Ti2 Ti1 O1 C1 -142.5(3) . . . . ?
O2 Ti1 O1 Ti2 32.82(8) . . . . ?
O10 Ti1 O1 Ti2 -142.34(8) . . . . ?
Cl1 Ti1 O1 Ti2 126.90(6) . . . . ?
Cl2 Ti1 O1 Ti2 -45.2(7) . . . . ?
Cl4 Ti1 O1 Ti2 -54.56(6) . . . . ?
O1 Ti2 O2 C3 -117.3(3) . . . . ?
O30 Ti2 O2 C3 71.5(3) . . . . ?
O20 Ti2 O2 C3 -144.4(12) . . . . ?
Cl3 Ti2 O2 C3 -23.0(3) . . . . ?
Cl4 Ti2 O2 C3 160.1(3) . . . . ?
Ti1 Ti2 O2 C3 -151.2(3) . . . . ?
O1 Ti2 O2 Ti1 33.83(8) . . . . ?
O30 Ti2 O2 Ti1 -137.28(8) . . . . ?
O20 Ti2 O2 Ti1 6.8(13) . . . . ?
Cl3 Ti2 O2 Ti1 128.22(6) . . . . ?
Cl4 Ti2 O2 Ti1 -48.69(6) . . . . ?
O1 Ti1 O2 C3 122.4(2) . . . . ?
O10 Ti1 O2 C3 -163.8(9) . . . . ?
Cl1 Ti1 O2 C3 31.9(2) . . . . ?
Cl2 Ti1 O2 C3 -63.8(2) . . . . ?
Cl4 Ti1 O2 C3 -156.2(2) . . . . ?
Ti2 Ti1 O2 C3 155.6(3) . . . . ?
O1 Ti1 O2 Ti2 -33.17(8) . . . . ?
O10 Ti1 O2 Ti2 40.7(10) . . . . ?
Cl1 Ti1 O2 Ti2 -123.67(6) . . . . ?
Cl2 Ti1 O2 Ti2 140.66(6) . . . . ?
Cl4 Ti1 O2 Ti2 48.25(6) . . . . ?
C14 O10 C11 C12 25.2(3) . . . . ?
Ti1 O10 C11 C12 -158.76(19) . . . . ?
O10 C11 C12 C13 -37.3(3) . . . . ?
C11 C12 C13 C14 35.8(3) . . . . ?
C11 O10 C14 C13 -2.0(3) . . . . ?
Ti1 O10 C14 C13 -178.31(19) . . . . ?
C12 C13 C14 O10 -21.3(3) . . . . ?
C24 O20 C21 C22 -0.7(3) . . . . ?
Ti2 O20 C21 C22 -170.38(19) . . . . ?
O20 C21 C22 C23 24.5(3) . . . . ?
C21 C22 C23 C24 -38.2(3) . . . . ?
C21 O20 C24 C23 -23.5(3) . . . . ?
Ti2 O20 C24 C23 146.7(2) . . . . ?
C22 C23 C24 O20 38.0(3) . . . . ?
C34 O30 C31 C32 6.7(3) . . . . ?
Ti2 O30 C31 C32 -166.8(2) . . . . ?
O30 C31 C32 C33 15.4(3) . . . . ?
C31 C32 C33 C34 -30.8(3) . . . . ?
C31 O30 C34 C33 -26.4(3) . . . . ?
Ti2 O30 C34 C33 146.7(2) . . . . ?
C32 C33 C34 O30 35.0(3) . . . . ?
Ti2 O1 C1 C2 167.3(2) . . . . ?
Ti1 O1 C1 C2 -65.2(4) . . . . ?
Ti2 O2 C3 C4 -55.3(4) . . . . ?
Ti1 O2 C3 C4 164.0(2) . . . . ?
