#------------------------------------------------------------------------------
#$Date: 2026-03-17 00:57:49 +0100 (Tue 17 de Mar de 2026) $
#$Revision: 305099 $
#$URL: svn://www.crystallography.net/cod/cif/7/72/06/7720693.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_7720693
loop_
_publ_author_name
'Bairagi, Subhash'
'Chatterjee, Debipada'
'Patel, Deepak Kumar'
'Acharya, Swetashree'
'Ghosh, Sundargopal'
_publ_section_title
;
 A 14-Vertex Bud-Shaped [(Cp*Ti)2B12H18] Cluster
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D5DT03098F
_journal_year                    2026
_chemical_formula_moiety
'0.5675(C20 H48 B12 Ti2) + 0.4324(C20 H52 B14 Ti2)'
_chemical_formula_sum            'C20 H49.73 B12.86 Ti2'
_chemical_formula_weight         525.20
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-11-06 deposited with the CCDC.	2026-03-12 downloaded from the CCDC.
;
_cell_angle_alpha                100.348(3)
_cell_angle_beta                 95.369(3)
_cell_angle_gamma                104.634(3)
_cell_formula_units_Z            6
_cell_length_a                   12.4681(10)
_cell_length_b                   16.8148(13)
_cell_length_c                   21.8299(18)
_cell_measurement_reflns_used    8222
_cell_measurement_temperature    264(2)
_cell_measurement_theta_max      24.2
_cell_measurement_theta_min      2.8
_cell_volume                     4309.4(6)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        'SAINT/XPREP (Bruker, 2016)'
_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      264(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker Kappa Apex3 CMOS'
_diffrn_measurement_method       'w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1046
_diffrn_reflns_av_unetI/netI     0.0710
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            232994
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.311
_diffrn_reflns_theta_min         1.830
_diffrn_source                   'Sealed tube'
_exptl_absorpt_coefficient_mu    0.566
_exptl_absorpt_correction_T_max  0.89
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;   
Reference: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10.
;
_exptl_crystal_colour            'dark violet'
_exptl_crystal_density_diffrn    1.214
_exptl_crystal_description       block
_exptl_crystal_F_000             1668
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         2.063
_refine_diff_density_min         -0.871
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1630
_refine_ls_number_reflns         21392
_refine_ls_number_restraints     4374
_refine_ls_restrained_S_all      1.017
_refine_ls_R_factor_all          0.1319
_refine_ls_R_factor_gt           0.0885
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1561P)²+3.3811P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2342
_refine_ls_wR_factor_ref         0.2794
_reflns_Friedel_coverage         0.000
_reflns_number_gt                13145
_reflns_number_total             21392
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5dt03098f2.cif
_cod_data_source_block           dg1obnt
_cod_database_code               7720693
_shelx_shelxl_version_number     2019/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.895
_shelx_estimated_absorpt_t_max   0.946
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C -0.4823(15) 0.5349(8) 0.7608(6) 0.052(3) Uani 0.493(4) 1 d D U P A 1
C2 C -0.4619(9) 0.6185(7) 0.7923(5) 0.051(2) Uani 0.493(4) 1 d D U P A 1
C3 C -0.4531(9) 0.6238(8) 0.8578(6) 0.057(2) Uani 0.493(4) 1 d D U P A 1
C4 C -0.4738(10) 0.5391(10) 0.8667(5) 0.063(3) Uani 0.493(4) 1 d D U P A 1
C5 C -0.4897(15) 0.4856(8) 0.8066(7) 0.055(3) Uani 0.493(4) 1 d D U P A 1
C6 C -0.5021(10) 0.5091(7) 0.6900(5) 0.082(3) Uani 0.493(4) 1 d D U P A 1
H6A H -0.580395 0.498099 0.675013 0.124 Uiso 0.493(4) 1 calc R U P A 1
H6B H -0.478665 0.459215 0.677260 0.124 Uiso 0.493(4) 1 calc R U P A 1
H6C H -0.459799 0.553591 0.672612 0.124 Uiso 0.493(4) 1 calc R U P A 1
C7 C -0.4593(11) 0.6972(7) 0.7655(6) 0.106(4) Uani 0.493(4) 1 d D U P A 1
H7A H -0.427174 0.693028 0.727189 0.159 Uiso 0.493(4) 1 calc R U P A 1
H7B H -0.414890 0.746165 0.795546 0.159 Uiso 0.493(4) 1 calc R U P A 1
H7C H -0.534269 0.701748 0.757073 0.159 Uiso 0.493(4) 1 calc R U P A 1
C8 C -0.4474(12) 0.6976(8) 0.9114(6) 0.133(6) Uani 0.493(4) 1 d D U P A 1
H8A H -0.463562 0.742735 0.894228 0.199 Uiso 0.493(4) 1 calc R U P A 1
H8B H -0.373652 0.716516 0.935275 0.199 Uiso 0.493(4) 1 calc R U P A 1
H8C H -0.501388 0.679995 0.938271 0.199 Uiso 0.493(4) 1 calc R U P A 1
C9 C -0.4880(12) 0.5068(9) 0.9255(6) 0.117(5) Uani 0.493(4) 1 d D U P A 1
H9A H -0.566239 0.482801 0.926402 0.176 Uiso 0.493(4) 1 calc R U P A 1
H9B H -0.457956 0.552174 0.961369 0.176 Uiso 0.493(4) 1 calc R U P A 1
H9C H -0.449017 0.464473 0.926706 0.176 Uiso 0.493(4) 1 calc R U P A 1
C10 C -0.5238(11) 0.3898(7) 0.7891(6) 0.103(4) Uani 0.493(4) 1 d D U P A 1
H10A H -0.603881 0.369060 0.784788 0.154 Uiso 0.493(4) 1 calc R U P A 1
H10B H -0.489960 0.368342 0.821451 0.154 Uiso 0.493(4) 1 calc R U P A 1
H10C H -0.499100 0.371719 0.749902 0.154 Uiso 0.493(4) 1 calc R U P A 1
C11 C 0.2193(12) 0.5978(10) 0.8961(6) 0.063(3) Uani 0.493(4) 1 d D U P A 1
C12 C 0.1998(10) 0.5408(6) 0.8367(8) 0.057(2) Uani 0.493(4) 1 d D U P A 1
C13 C 0.2060(8) 0.5864(8) 0.7884(5) 0.048(2) Uani 0.493(4) 1 d D U P A 1
C14 C 0.2273(9) 0.6712(6) 0.8179(6) 0.047(2) Uani 0.493(4) 1 d D U P A 1
C15 C 0.2342(15) 0.6777(9) 0.8836(5) 0.055(3) Uani 0.493(4) 1 d D U P A 1
C16 C 0.2342(13) 0.5807(9) 0.9612(6) 0.121(5) Uani 0.493(4) 1 d D U P A 1
H16A H 0.289613 0.627258 0.988126 0.182 Uiso 0.493(4) 1 calc R U P A 1
H16B H 0.258198 0.530513 0.959473 0.182 Uiso 0.493(4) 1 calc R U P A 1
H16C H 0.164273 0.573409 0.977500 0.182 Uiso 0.493(4) 1 calc R U P A 1
C17 C 0.1883(12) 0.4500(7) 0.8316(7) 0.126(5) Uani 0.493(4) 1 d D U P A 1
H17A H 0.174178 0.422215 0.788028 0.188 Uiso 0.493(4) 1 calc R U P A 1
H17B H 0.127114 0.426249 0.852302 0.188 Uiso 0.493(4) 1 calc R U P A 1
H17C H 0.256335 0.442602 0.851213 0.188 Uiso 0.493(4) 1 calc R U P A 1
C18 C 0.2084(11) 0.5513(9) 0.7218(5) 0.122(5) Uani 0.493(4) 1 d D U P A 1
H18A H 0.277405 0.536680 0.717834 0.183 Uiso 0.493(4) 1 calc R U P A 1
H18B H 0.202835 0.592358 0.697162 0.183 Uiso 0.493(4) 1 calc R U P A 1
H18C H 0.146494 0.501955 0.707056 0.183 Uiso 0.493(4) 1 calc R U P A 1
C19 C 0.2451(10) 0.7427(7) 0.7825(6) 0.109(4) Uani 0.493(4) 1 d D U P A 1
H19A H 0.314683 0.748661 0.765847 0.163 Uiso 0.493(4) 1 calc R U P A 1
H19B H 0.247292 0.794090 0.810695 0.163 Uiso 0.493(4) 1 calc R U P A 1
H19C H 0.184637 0.730291 0.748536 0.163 Uiso 0.493(4) 1 calc R U P A 1
C20 C 0.2717(13) 0.7612(8) 0.9300(6) 0.128(6) Uani 0.493(4) 1 d D U P A 1
H20A H 0.316026 0.755854 0.966655 0.191 Uiso 0.493(4) 1 calc R U P A 1
H20B H 0.207228 0.777956 0.942012 0.191 Uiso 0.493(4) 1 calc R U P A 1
H20C H 0.315734 0.802894 0.910832 0.191 Uiso 0.493(4) 1 calc R U P A 1
B1 B -0.1310(10) 0.5345(7) 0.8388(6) 0.064(2) Uani 0.493(4) 1 d . U P A 1
B5 B -0.1093(10) 0.6368(7) 0.8287(6) 0.064(2) Uani 0.493(4) 1 d . U P A 1
C1' C -0.4764(14) 0.5633(8) 0.7688(6) 0.054(3) Uani 0.507(4) 1 d D U P A 2
C2' C -0.4599(9) 0.6247(6) 0.8248(7) 0.056(2) Uani 0.507(4) 1 d D U P A 2
C3' C -0.4632(8) 0.5834(7) 0.8752(4) 0.050(2) Uani 0.507(4) 1 d D U P A 2
C4' C -0.4830(8) 0.4974(6) 0.8505(5) 0.0454(18) Uani 0.507(4) 1 d D U P A 2
C5' C -0.4920(15) 0.4851(8) 0.7848(5) 0.054(3) Uani 0.507(4) 1 d D U P A 2
C6' C -0.4925(11) 0.5788(8) 0.7032(6) 0.115(5) Uani 0.507(4) 1 d D U P A 2
H6D H -0.454135 0.546996 0.676600 0.173 Uiso 0.507(4) 1 calc R U P A 2
H6E H -0.462577 0.637593 0.704181 0.173 Uiso 0.507(4) 1 calc R U P A 2
H6F H -0.570947 0.561671 0.687046 0.173 Uiso 0.507(4) 1 calc R U P A 2
C7' C -0.4545(11) 0.7151(7) 0.8304(7) 0.110(4) Uani 0.507(4) 1 d D U P A 2
H7D H -0.528104 0.722398 0.832524 0.165 Uiso 0.507(4) 1 calc R U P A 2
H7E H -0.426745 0.733837 0.794414 0.165 Uiso 0.507(4) 1 calc R U P A 2
H7F H -0.405230 0.747486 0.867951 0.165 Uiso 0.507(4) 1 calc R U P A 2
C8' C -0.4568(10) 0.6223(8) 0.9446(5) 0.113(5) Uani 0.507(4) 1 d D U P A 2
H8D H -0.526625 0.599791 0.958656 0.169 Uiso 0.507(4) 1 calc R U P A 2
H8E H -0.442214 0.682203 0.950017 0.169 Uiso 0.507(4) 1 calc R U P A 2
H8F H -0.397446 0.609448 0.968758 0.169 Uiso 0.507(4) 1 calc R U P A 2
C9' C -0.5053(10) 0.4290(7) 0.8888(6) 0.103(4) Uani 0.507(4) 1 d D U P A 2
H9D H -0.450567 0.445159 0.925948 0.155 Uiso 0.507(4) 1 calc R U P A 2
H9E H -0.500391 0.377160 0.863849 0.155 Uiso 0.507(4) 1 calc R U P A 2
H9F H -0.578853 0.421579 0.900549 0.155 Uiso 0.507(4) 1 calc R U P A 2
C10' C -0.5240(10) 0.4006(7) 0.7399(5) 0.109(5) Uani 0.507(4) 1 d D U P A 2
H10D H -0.598603 0.370134 0.743522 0.163 Uiso 0.507(4) 1 calc R U P A 2
H10E H -0.472624 0.369302 0.750034 0.163 Uiso 0.507(4) 1 calc R U P A 2
H10F H -0.521090 0.408578 0.697556 0.163 Uiso 0.507(4) 1 calc R U P A 2
C11' C 0.2034(8) 0.5494(6) 0.8726(6) 0.0503(19) Uani 0.507(4) 1 d D U P A 2
C12' C 0.2011(9) 0.5505(8) 0.8070(5) 0.054(2) Uani 0.507(4) 1 d D U P A 2
C13' C 0.2181(10) 0.6343(10) 0.8022(6) 0.063(3) Uani 0.507(4) 1 d D U P A 2
C14' C 0.2363(14) 0.6853(7) 0.8631(7) 0.055(3) Uani 0.507(4) 1 d D U P A 2
C15' C 0.2280(10) 0.6326(7) 0.9069(5) 0.051(2) Uani 0.507(4) 1 d D U P A 2
C16' C 0.1990(11) 0.4718(7) 0.8994(7) 0.113(4) Uani 0.507(4) 1 d D U P A 2
H16D H 0.273698 0.467655 0.909465 0.170 Uiso 0.507(4) 1 calc R U P A 2
H16E H 0.156257 0.422831 0.868848 0.170 Uiso 0.507(4) 1 calc R U P A 2
H16F H 0.164174 0.475827 0.936802 0.170 Uiso 0.507(4) 1 calc R U P A 2
C17' C 0.1944(11) 0.4781(8) 0.7551(6) 0.129(5) Uani 0.507(4) 1 d D U P A 2
H17D H 0.168394 0.489867 0.715757 0.193 Uiso 0.507(4) 1 calc R U P A 2
H17E H 0.143240 0.428538 0.762130 0.193 Uiso 0.507(4) 1 calc R U P A 2
H17F H 0.267306 0.469190 0.753725 0.193 Uiso 0.507(4) 1 calc R U P A 2
C18' C 0.2385(11) 0.6696(9) 0.7450(6) 0.119(5) Uani 0.507(4) 1 d D U P A 2
H18D H 0.316818 0.681567 0.741302 0.178 Uiso 0.507(4) 1 calc R U P A 2
H18E H 0.215764 0.720514 0.748433 0.178 Uiso 0.507(4) 1 calc R U P A 2
H18F H 0.196021 0.629491 0.708326 0.178 Uiso 0.507(4) 1 calc R U P A 2
C19' C 0.2683(12) 0.7786(7) 0.8834(7) 0.117(5) Uani 0.507(4) 1 d D U P A 2
H19D H 0.340646 0.797570 0.908937 0.175 Uiso 0.507(4) 1 calc R U P A 2
H19E H 0.213878 0.795109 0.907416 0.175 Uiso 0.507(4) 1 calc R U P A 2
H19F H 0.271099 0.803304 0.847025 0.175 Uiso 0.507(4) 1 calc R U P A 2
C20' C 0.2511(11) 0.6562(8) 0.9780(5) 0.109(4) Uani 0.507(4) 1 d D U P A 2
H20D H 0.187158 0.628341 0.994964 0.164 Uiso 0.507(4) 1 calc R U P A 2
H20E H 0.265619 0.715944 0.991535 0.164 Uiso 0.507(4) 1 calc R U P A 2
H20F H 0.315238 0.639244 0.992570 0.164 Uiso 0.507(4) 1 calc R U P A 2
B1' B -0.1405(12) 0.5513(9) 0.7976(7) 0.081(2) Uani 0.507(4) 1 d . U P A 2
B5' B -0.1217(12) 0.6185(9) 0.8671(7) 0.081(2) Uani 0.507(4) 1 d . U P A 2
B9' B -0.2001(9) 0.5757(7) 0.9210(5) 0.065(2) Uani 0.507(4) 1 d . U P A 2
H9' H -0.216910 0.603272 0.967486 0.078 Uiso 0.507(4) 1 calc R U P A 2
B11' B -0.2114(10) 0.5803(8) 0.7359(6) 0.073(2) Uani 0.507(4) 1 d . U P A 2
H11' H -0.247391 0.549474 0.686855 0.088 Uiso 0.507(4) 1 calc R U P A 2
B2 B -0.0756(6) 0.4749(4) 0.7769(3) 0.0892(19) Uani 1 1 d . U . . .
H2 H -0.056392 0.417049 0.754656 0.107 Uiso 1 1 calc R U . A 1
B3 B -0.0468(7) 0.5584(5) 0.7376(3) 0.0919(18) Uani 1 1 d . U . . .
H3 H -0.034294 0.548047 0.687883 0.110 Uiso 1 1 calc R U . A 2
B4 B -0.0516(7) 0.6564(6) 0.7672(4) 0.105(2) Uani 1 1 d . U . . .
H4 H -0.017866 0.700262 0.737416 0.126 Uiso 1 1 calc R U . A 1
B6 B -0.0147(6) 0.7073(4) 0.8955(3) 0.0894(18) Uani 1 1 d . U . . .
H6 H 0.035333 0.770630 0.920272 0.107 Uiso 1 1 calc R U . A 1
B7 B -0.0156(7) 0.6264(5) 0.9366(4) 0.096(2) Uani 1 1 d . U . . .
H7 H 0.009809 0.639801 0.987830 0.115 Uiso 1 1 calc R U . A 2
B8 B -0.0702(7) 0.5184(6) 0.9038(4) 0.105(2) Uani 1 1 d . U . . .
H8 H -0.050042 0.476437 0.933649 0.126 Uiso 1 1 calc R U . A 1
B9 B -0.2378(5) 0.4788(4) 0.8772(3) 0.0732(14) Uani 1 1 d . U . . .
H9 H -0.286552 0.446733 0.909555 0.088 Uiso 1 1 calc R U . A 1
B11 B -0.2021(6) 0.6751(4) 0.7817(3) 0.0786(16) Uani 1 1 d . U . . .
H11 H -0.243225 0.700284 0.745761 0.094 Uiso 1 1 calc R U . A 1
B10 B -0.2344(6) 0.4536(4) 0.7945(4) 0.0880(18) Uani 1 1 d . U . . .
H10 H -0.283975 0.397880 0.759296 0.106 Uiso 1 1 calc R U . A 1
B12 B -0.1740(6) 0.7038(4) 0.8651(4) 0.0945(19) Uani 1 1 d . U . . .
H12 H -0.195023 0.754230 0.897172 0.113 Uiso 1 1 calc R U . A 1
Ti1 Ti -0.30599(5) 0.57048(4) 0.82588(3) 0.04142(18) Uani 1 1 d . . . . .
Ti2 Ti 0.04846(5) 0.59867(4) 0.84023(3) 0.04346(18) Uani 1 1 d . . . . .
C21 C -0.0523(7) 0.1980(7) 0.5343(4) 0.053(2) Uani 0.573(5) 1 d D U P B 3
C22 C -0.0722(10) 0.1646(7) 0.4690(4) 0.0450(19) Uani 0.573(5) 1 d D U P B 3
C23 C -0.0555(17) 0.2328(8) 0.4385(6) 0.054(3) Uani 0.573(5) 1 d D U P B 3
C24 C -0.0253(16) 0.3066(8) 0.4847(6) 0.060(3) Uani 0.573(5) 1 d D U P B 3
C25 C -0.0259(9) 0.2865(7) 0.5431(5) 0.060(3) Uani 0.573(5) 1 d D U P B 3
C26 C -0.0691(13) 0.1509(8) 0.5855(6) 0.119(5) Uani 0.573(5) 1 d D U P B 3
H26A H -0.137015 0.155240 0.601487 0.178 Uiso 0.573(5) 1 calc R U P B 3
H26B H -0.006891 0.174094 0.618767 0.178 Uiso 0.573(5) 1 calc R U P B 3
H26C H -0.074301 0.092824 0.569361 0.178 Uiso 0.573(5) 1 calc R U P B 3
C27 C -0.1135(14) 0.0726(8) 0.4400(6) 0.098(4) Uani 0.573(5) 1 d D U P B 3
H27A H -0.100596 0.040843 0.470986 0.147 Uiso 0.573(5) 1 calc R U P B 3
H27B H -0.074016 0.059836 0.405456 0.147 Uiso 0.573(5) 1 calc R U P B 3
H27C H -0.192244 0.058215 0.425013 0.147 Uiso 0.573(5) 1 calc R U P B 3
C28 C -0.0854(18) 0.2219(8) 0.3687(7) 0.105(5) Uani 0.573(5) 1 d D U P B 3
H28A H -0.165408 0.207290 0.357895 0.158 Uiso 0.573(5) 1 calc R U P B 3
H28B H -0.057520 0.178032 0.347222 0.158 Uiso 0.573(5) 1 calc R U P B 3
H28C H -0.052471 0.273594 0.356252 0.158 Uiso 0.573(5) 1 calc R U P B 3
C29 C -0.0066(15) 0.3928(8) 0.4689(7) 0.120(5) Uani 0.573(5) 1 d D U P B 3
H29A H 0.058922 0.404642 0.448601 0.179 Uiso 0.573(5) 1 calc R U P B 3
H29B H 0.003597 0.434426 0.506926 0.179 Uiso 0.573(5) 1 calc R U P B 3
H29C H -0.070552 0.393842 0.441249 0.179 Uiso 0.573(5) 1 calc R U P B 3
C30 C -0.0137(15) 0.3494(9) 0.6031(6) 0.147(7) Uani 0.573(5) 1 d D U P B 3
H30A H 0.060784 0.386740 0.611700 0.221 Uiso 0.573(5) 1 calc R U P B 3
H30B H -0.026875 0.320611 0.637057 0.221 Uiso 0.573(5) 1 calc R U P B 3
H30C H -0.067040 0.381157 0.599082 0.221 Uiso 0.573(5) 1 calc R U P B 3
C31 C 0.6058(8) 0.1890(6) 0.4637(4) 0.0479(19) Uani 0.573(5) 1 d D U P B 3
C32 C 0.6164(13) 0.1950(7) 0.5293(4) 0.049(2) Uani 0.573(5) 1 d D U P B 3
C33 C 0.649(3) 0.2817(8) 0.5592(7) 0.055(3) Uani 0.573(5) 1 d D U P B 3
C34 C 0.6571(13) 0.3292(7) 0.5120(6) 0.056(2) Uani 0.573(5) 1 d D U P B 3
C35 C 0.6290(8) 0.2718(8) 0.4525(5) 0.056(2) Uani 0.573(5) 1 d D U P B 3
C36 C 0.5831(10) 0.1111(7) 0.4119(5) 0.101(4) Uani 0.573(5) 1 d D U P B 3
H36A H 0.643858 0.085982 0.415520 0.152 Uiso 0.573(5) 1 calc R U P B 3
H36B H 0.576470 0.126447 0.371669 0.152 Uiso 0.573(5) 1 calc R U P B 3
H36C H 0.514657 0.071681 0.415579 0.152 Uiso 0.573(5) 1 calc R U P B 3
C37 C 0.6109(11) 0.1201(6) 0.5586(5) 0.080(3) Uani 0.573(5) 1 d D U P B 3
H37A H 0.549159 0.074095 0.536313 0.119 Uiso 0.573(5) 1 calc R U P B 3
H37B H 0.600750 0.134048 0.601827 0.119 Uiso 0.573(5) 1 calc R U P B 3
H37C H 0.679458 0.104262 0.556209 0.119 Uiso 0.573(5) 1 calc R U P B 3
C38 C 0.6739(14) 0.3116(6) 0.6298(6) 0.083(4) Uani 0.573(5) 1 d D U P B 3
H38A H 0.741711 0.299871 0.645074 0.124 Uiso 0.573(5) 1 calc R U P B 3
H38B H 0.613149 0.282983 0.648661 0.124 Uiso 0.573(5) 1 calc R U P B 3
H38C H 0.682851 0.371108 0.640424 0.124 Uiso 0.573(5) 1 calc R U P B 3
C39 C 0.6975(12) 0.4233(7) 0.5262(6) 0.097(4) Uani 0.573(5) 1 d D U P B 3
H39A H 0.682541 0.445111 0.567288 0.145 Uiso 0.573(5) 1 calc R U P B 3
H39B H 0.659148 0.444640 0.495385 0.145 Uiso 0.573(5) 1 calc R U P B 3
H39C H 0.776631 0.440551 0.524986 0.145 Uiso 0.573(5) 1 calc R U P B 3
C40 C 0.6407(11) 0.2978(8) 0.3916(5) 0.108(4) Uani 0.573(5) 1 d D U P B 3
H40A H 0.717466 0.307656 0.384638 0.162 Uiso 0.573(5) 1 calc R U P B 3
H40B H 0.618263 0.348525 0.392388 0.162 Uiso 0.573(5) 1 calc R U P B 3
H40C H 0.594080 0.254149 0.358159 0.162 Uiso 0.573(5) 1 calc R U P B 3
B13 B 0.3009(6) 0.3021(5) 0.4965(3) 0.0407(14) Uani 0.573(5) 1 d . U P B 3
B14 B 0.2713(6) 0.1962(5) 0.5039(4) 0.0445(15) Uani 0.573(5) 1 d . U P B 3
C21' C -0.0388(11) 0.2371(9) 0.5484(6) 0.052(3) Uani 0.427(5) 1 d D U P B 4
C22' C -0.0688(16) 0.1744(9) 0.4905(8) 0.060(3) Uani 0.427(5) 1 d D U P B 4
C23' C -0.067(2) 0.2145(10) 0.4402(8) 0.053(3) Uani 0.427(5) 1 d D U P B 4
C24' C -0.030(2) 0.3022(10) 0.4662(6) 0.048(3) Uani 0.427(5) 1 d D U P B 4
C25' C -0.0151(12) 0.3152(7) 0.5318(6) 0.041(2) Uani 0.427(5) 1 d D U P B 4
C26' C -0.0575(16) 0.2090(10) 0.6082(7) 0.104(5) Uani 0.427(5) 1 d D U P B 4
H26D H -0.002668 0.245901 0.641909 0.156 Uiso 0.427(5) 1 calc R U P B 4
H26E H -0.050770 0.152724 0.604385 0.156 Uiso 0.427(5) 1 calc R U P B 4
H26F H -0.131185 0.210120 0.616994 0.156 Uiso 0.427(5) 1 calc R U P B 4
C27' C -0.111(2) 0.0793(10) 0.4760(8) 0.104(6) Uani 0.427(5) 1 d D U P B 4
H27D H -0.190378 0.062581 0.461451 0.156 Uiso 0.427(5) 1 calc R U P B 4
H27E H -0.097136 0.058794 0.513385 0.156 Uiso 0.427(5) 1 calc R U P B 4
H27F H -0.073259 0.056317 0.443925 0.156 Uiso 0.427(5) 1 calc R U P B 4
C28' C -0.103(2) 0.1849(9) 0.3696(8) 0.082(5) Uani 0.427(5) 1 d D U P B 4
H28D H -0.078147 0.136272 0.354779 0.123 Uiso 0.427(5) 1 calc R U P B 4
H28E H -0.070828 0.228961 0.348815 0.123 Uiso 0.427(5) 1 calc R U P B 4
H28F H -0.183289 0.170677 0.360646 0.123 Uiso 0.427(5) 1 calc R U P B 4
C29' C -0.0178(19) 0.3778(10) 0.4341(6) 0.082(4) Uani 0.427(5) 1 d D U P B 4
H29D H -0.088380 0.373967 0.410273 0.123 Uiso 0.427(5) 1 calc R U P B 4
H29E H 0.037584 0.377434 0.406388 0.123 Uiso 0.427(5) 1 calc R U P B 4
H29F H 0.004973 0.429014 0.465512 0.123 Uiso 0.427(5) 1 calc R U P B 4
C30' C 0.0065(15) 0.3943(8) 0.5820(7) 0.091(5) Uani 0.427(5) 1 d D U P B 4
H30D H 0.010227 0.380353 0.622811 0.137 Uiso 0.427(5) 1 calc R U P B 4
H30E H -0.053172 0.420052 0.576378 0.137 Uiso 0.427(5) 1 calc R U P B 4
H30F H 0.076242 0.432719 0.578875 0.137 Uiso 0.427(5) 1 calc R U P B 4
C31' C 0.6163(12) 0.2221(9) 0.4529(6) 0.058(3) Uani 0.427(5) 1 d D U P B 4
C32' C 0.619(2) 0.1951(10) 0.5099(8) 0.057(3) Uani 0.427(5) 1 d D U P B 4
C33' C 0.643(4) 0.2661(11) 0.5589(9) 0.053(3) Uani 0.427(5) 1 d D U P B 4
C34' C 0.6606(18) 0.3381(10) 0.5337(6) 0.052(3) Uani 0.427(5) 1 d D U P B 4
C35' C 0.6462(11) 0.3121(9) 0.4679(6) 0.052(2) Uani 0.427(5) 1 d D U P B 4
C36' C 0.5993(17) 0.1657(11) 0.3885(7) 0.139(7) Uani 0.427(5) 1 d D U P B 4
H36D H 0.661115 0.141748 0.384659 0.208 Uiso 0.427(5) 1 calc R U P B 4
H36E H 0.594822 0.198065 0.356816 0.208 Uiso 0.427(5) 1 calc R U P B 4
H36F H 0.530965 0.121511 0.383218 0.208 Uiso 0.427(5) 1 calc R U P B 4
C37' C 0.6109(17) 0.1070(10) 0.5178(8) 0.108(5) Uani 0.427(5) 1 d D U P B 4
H37D H 0.678992 0.093129 0.509647 0.161 Uiso 0.427(5) 1 calc R U P B 4
H37E H 0.549089 0.068649 0.488806 0.161 Uiso 0.427(5) 1 calc R U P B 4
H37F H 0.599033 0.102899 0.560109 0.161 Uiso 0.427(5) 1 calc R U P B 4
C38' C 0.664(2) 0.2687(9) 0.6280(8) 0.095(5) Uani 0.427(5) 1 d D U P B 4
H38D H 0.724473 0.244389 0.636491 0.142 Uiso 0.427(5) 1 calc R U P B 4
H38E H 0.597778 0.237369 0.640968 0.142 Uiso 0.427(5) 1 calc R U P B 4
H38F H 0.684146 0.326000 0.650805 0.142 Uiso 0.427(5) 1 calc R U P B 4
C39' C 0.7038(18) 0.4285(10) 0.5658(7) 0.111(6) Uani 0.427(5) 1 d D U P B 4
H39D H 0.674583 0.462249 0.541195 0.167 Uiso 0.427(5) 1 calc R U P B 4
H39E H 0.784149 0.445068 0.570356 0.167 Uiso 0.427(5) 1 calc R U P B 4
H39F H 0.680480 0.436319 0.606651 0.167 Uiso 0.427(5) 1 calc R U P B 4
C40' C 0.6667(15) 0.3646(10) 0.4184(7) 0.119(6) Uani 0.427(5) 1 d D U P B 4
H40D H 0.668823 0.421578 0.436213 0.179 Uiso 0.427(5) 1 calc R U P B 4
H40E H 0.607273 0.342276 0.383499 0.179 Uiso 0.427(5) 1 calc R U P B 4
H40F H 0.736854 0.363162 0.404215 0.179 Uiso 0.427(5) 1 calc R U P B 4
B13' B 0.3163(9) 0.2851(7) 0.5364(5) 0.0466(19) Uani 0.427(5) 1 d . U P B 4
B14' B 0.2857(9) 0.2121(7) 0.4629(5) 0.0474(19) Uani 0.427(5) 1 d . U P B 4
B22' B 0.3568(10) 0.2619(8) 0.4097(5) 0.056(2) Uani 0.427(5) 1 d . U P B 4
H22' H 0.368104 0.238625 0.360971 0.068 Uiso 0.427(5) 1 calc R U P B 4
B23' B 0.3728(11) 0.2380(8) 0.5923(6) 0.060(2) Uani 0.427(5) 1 d . U P B 4
H23' H 0.410571 0.261310 0.642012 0.072 Uiso 0.427(5) 1 calc R U P B 4
B15 B 0.1765(5) 0.1307(3) 0.4404(3) 0.0631(13) Uani 1 1 d . U . . .
H15 H 0.125474 0.067808 0.415462 0.076 Uiso 1 1 calc R U . B 3
B16 B 0.1666(6) 0.2092(4) 0.3970(3) 0.0805(16) Uani 1 1 d . U . . .
H16 H 0.130270 0.195300 0.347064 0.097 Uiso 1 1 calc R U . B 4
B17 B 0.2322(6) 0.3098(5) 0.4258(3) 0.0806(16) Uani 1 1 d . U . . .
H17 H 0.213081 0.348188 0.392655 0.097 Uiso 1 1 calc R U . B 3
B18 B 0.2625(4) 0.3631(3) 0.5574(3) 0.0589(12) Uani 1 1 d . U . . .
H18 H 0.256276 0.424534 0.581889 0.071 Uiso 1 1 calc R U . B 3
B19 B 0.2150(5) 0.2835(4) 0.5997(3) 0.0772(16) Uani 1 1 d . U . . .
H19 H 0.198782 0.296123 0.648655 0.093 Uiso 1 1 calc R U . B 4
B20 B 0.2166(6) 0.1867(4) 0.5723(3) 0.0797(16) Uani 1 1 d . U . . .
H20 H 0.184308 0.147962 0.605643 0.096 Uiso 1 1 calc R U . B 3
B21 B 0.4120(4) 0.3775(3) 0.5339(3) 0.0568(11) Uani 1 1 d . U . . .
H21 H 0.468422 0.433345 0.566222 0.068 Uiso 1 1 calc R U . B 3
B22 B 0.4070(6) 0.3468(4) 0.4493(3) 0.0714(14) Uani 1 1 d . U . . .
H22 H 0.453850 0.374047 0.414234 0.086 Uiso 1 1 calc R U . B 3
B23 B 0.3639(5) 0.1552(4) 0.5529(3) 0.0754(15) Uani 1 1 d . U . . .
H23 H 0.404027 0.129230 0.588618 0.090 Uiso 1 1 calc R U . B 3
B24 B 0.3276(4) 0.1243(3) 0.4679(3) 0.0605(12) Uani 1 1 d . U . . .
H24 H 0.342099 0.070348 0.436463 0.073 Uiso 1 1 calc R U . B 3
Ti3 Ti 0.11974(5) 0.24435(4) 0.49750(3) 0.03915(17) Uani 1 1 d . . . . .
Ti4 Ti 0.46818(5) 0.25368(4) 0.50211(3) 0.03911(17) Uani 1 1 d . . . . .
C41 C 0.1422(9) 0.1569(5) 0.8186(5) 0.055(2) Uani 0.636(3) 1 d D U P C 5
C42 C 0.0979(6) 0.0725(5) 0.7864(3) 0.0510(16) Uani 0.636(3) 1 d D U P C 5
C43 C 0.0899(8) 0.0190(5) 0.8276(5) 0.058(2) Uani 0.636(3) 1 d D U P C 5
C44 C 0.1238(8) 0.0701(8) 0.8884(5) 0.071(2) Uani 0.636(3) 1 d D U P C 5
C45 C 0.1552(11) 0.1551(7) 0.8836(5) 0.069(3) Uani 0.636(3) 1 d D U P C 5
C46 C 0.1526(8) 0.2273(6) 0.7836(5) 0.105(3) Uani 0.636(3) 1 d D U P C 5
H46A H 0.203246 0.222354 0.753538 0.157 Uiso 0.636(3) 1 calc R U P C 5
H46B H 0.180855 0.280280 0.812900 0.157 Uiso 0.636(3) 1 calc R U P C 5
H46C H 0.080352 0.224036 0.762133 0.157 Uiso 0.636(3) 1 calc R U P C 5
C47 C 0.0480(8) 0.0375(7) 0.7167(4) 0.114(4) Uani 0.636(3) 1 d D U P C 5
H47A H 0.065843 -0.014346 0.702276 0.171 Uiso 0.636(3) 1 calc R U P C 5
H47B H 0.078933 0.077449 0.692255 0.171 Uiso 0.636(3) 1 calc R U P C 5
H47C H -0.031889 0.027606 0.712132 0.171 Uiso 0.636(3) 1 calc R U P C 5
C48 C 0.0445(8) -0.0737(6) 0.8193(6) 0.128(4) Uani 0.636(3) 1 d D U P C 5
H48A H -0.033154 -0.090302 0.801344 0.192 Uiso 0.636(3) 1 calc R U P C 5
H48B H 0.051633 -0.089085 0.859487 0.192 Uiso 0.636(3) 1 calc R U P C 5
H48C H 0.085624 -0.101558 0.791801 0.192 Uiso 0.636(3) 1 calc R U P C 5
C49 C 0.1165(9) 0.0529(8) 0.9532(5) 0.138(4) Uani 0.636(3) 1 d D U P C 5
H49A H 0.176854 0.092596 0.982443 0.207 Uiso 0.636(3) 1 calc R U P C 5
H49B H 0.121869 -0.003095 0.953250 0.207 Uiso 0.636(3) 1 calc R U P C 5
H49C H 0.046258 0.058104 0.965487 0.207 Uiso 0.636(3) 1 calc R U P C 5
C50 C 0.1911(9) 0.2407(7) 0.9302(5) 0.133(5) Uani 0.636(3) 1 d D U P C 5
H50A H 0.129649 0.265408 0.930761 0.199 Uiso 0.636(3) 1 calc R U P C 5
H50B H 0.253355 0.277240 0.917206 0.199 Uiso 0.636(3) 1 calc R U P C 5
H50C H 0.212870 0.232844 0.971522 0.199 Uiso 0.636(3) 1 calc R U P C 5
C51 C 0.8079(9) 0.1017(6) 0.8722(5) 0.065(2) Uani 0.636(3) 1 d D U P C 5
C52 C 0.7687(6) 0.0131(5) 0.8498(3) 0.0464(15) Uani 0.636(3) 1 d D U P C 5
C53 C 0.7415(6) -0.0032(5) 0.7832(3) 0.0446(14) Uani 0.636(3) 1 d D U P C 5
C54 C 0.7666(9) 0.0734(7) 0.7643(5) 0.059(2) Uani 0.636(3) 1 d D U P C 5
C55 C 0.8075(7) 0.1379(5) 0.8190(6) 0.071(2) Uani 0.636(3) 1 d D U P C 5
C56 C 0.8483(8) 0.1353(6) 0.9418(5) 0.126(5) Uani 0.636(3) 1 d D U P C 5
H56A H 0.904107 0.109368 0.955248 0.189 Uiso 0.636(3) 1 calc R U P C 5
H56B H 0.786377 0.122848 0.964779 0.189 Uiso 0.636(3) 1 calc R U P C 5
H56C H 0.880224 0.195092 0.949459 0.189 Uiso 0.636(3) 1 calc R U P C 5
C57 C 0.7612(8) -0.0586(6) 0.8843(4) 0.093(3) Uani 0.636(3) 1 d D U P C 5
H57A H 0.701507 -0.106405 0.862364 0.139 Uiso 0.636(3) 1 calc R U P C 5
H57B H 0.746729 -0.041218 0.926287 0.139 Uiso 0.636(3) 1 calc R U P C 5
H57C H 0.830714 -0.073504 0.885872 0.139 Uiso 0.636(3) 1 calc R U P C 5
C58 C 0.7058(8) -0.0862(6) 0.7369(4) 0.110(4) Uani 0.636(3) 1 d D U P C 5
H58A H 0.717726 -0.077131 0.695577 0.165 Uiso 0.636(3) 1 calc R U P C 5
H58B H 0.627700 -0.112100 0.736728 0.165 Uiso 0.636(3) 1 calc R U P C 5
H58C H 0.749002 -0.122238 0.748784 0.165 Uiso 0.636(3) 1 calc R U P C 5
C59 C 0.7634(9) 0.0922(8) 0.7000(5) 0.133(4) Uani 0.636(3) 1 d D U P C 5
H59A H 0.835139 0.095534 0.686317 0.200 Uiso 0.636(3) 1 calc R U P C 5
H59B H 0.746057 0.144800 0.700903 0.200 Uiso 0.636(3) 1 calc R U P C 5
H59C H 0.707045 0.048210 0.671255 0.200 Uiso 0.636(3) 1 calc R U P C 5
C60 C 0.8568(9) 0.2306(6) 0.8281(6) 0.142(4) Uani 0.636(3) 1 d D U P C 5
H60A H 0.815409 0.259412 0.854802 0.212 Uiso 0.636(3) 1 calc R U P C 5
H60B H 0.853128 0.246543 0.788052 0.212 Uiso 0.636(3) 1 calc R U P C 5
H60C H 0.933601 0.245513 0.847373 0.212 Uiso 0.636(3) 1 calc R U P C 5
B25 B 0.4664(6) 0.1376(4) 0.8315(3) 0.0419(13) Uani 0.636(3) 1 d . U P C 5
B26 B 0.4253(5) 0.0279(4) 0.8346(3) 0.0417(13) Uani 0.636(3) 1 d . U P C 5
C41' C 0.1235(16) 0.1272(12) 0.8082(8) 0.059(3) Uani 0.364(3) 1 d D U P C 6
C42' C 0.0914(15) 0.0398(10) 0.8093(7) 0.059(3) Uani 0.364(3) 1 d D U P C 6
C43' C 0.1060(12) 0.0328(7) 0.8731(8) 0.050(3) Uani 0.364(3) 1 d D U P C 6
C44' C 0.1493(10) 0.1158(8) 0.9086(5) 0.042(2) Uani 0.364(3) 1 d D U P C 6
C45' C 0.1648(18) 0.1735(9) 0.8693(8) 0.050(3) Uani 0.364(3) 1 d D U P C 6
C46' C 0.0904(16) 0.1394(12) 0.7445(8) 0.132(6) Uani 0.364(3) 1 d D U P C 6
H46D H 0.010645 0.129963 0.736916 0.198 Uiso 0.364(3) 1 calc R U P C 6
H46E H 0.112301 0.100394 0.713745 0.198 Uiso 0.364(3) 1 calc R U P C 6
H46F H 0.126790 0.195837 0.741392 0.198 Uiso 0.364(3) 1 calc R U P C 6
C47' C 0.0318(15) -0.0461(11) 0.7656(8) 0.144(7) Uani 0.364(3) 1 d D U P C 6
H47D H -0.026587 -0.076319 0.785288 0.215 Uiso 0.364(3) 1 calc R U P C 6
H47E H 0.084927 -0.077967 0.757989 0.215 Uiso 0.364(3) 1 calc R U P C 6
H47F H -0.000157 -0.037584 0.726390 0.215 Uiso 0.364(3) 1 calc R U P C 6
C48' C 0.0855(12) -0.0353(9) 0.9108(8) 0.099(5) Uani 0.364(3) 1 d D U P C 6
H48D H 0.019698 -0.035199 0.930430 0.149 Uiso 0.364(3) 1 calc R U P C 6
H48E H 0.148870 -0.024959 0.942651 0.149 Uiso 0.364(3) 1 calc R U P C 6
H48F H 0.074866 -0.088965 0.883396 0.149 Uiso 0.364(3) 1 calc R U P C 6
C49' C 0.1650(14) 0.1553(10) 0.9784(7) 0.119(6) Uani 0.364(3) 1 d D U P C 6
H49D H 0.243244 0.180829 0.993335 0.178 Uiso 0.364(3) 1 calc R U P C 6
H49E H 0.136547 0.112601 1.001197 0.178 Uiso 0.364(3) 1 calc R U P C 6
H49F H 0.125025 0.197272 0.984607 0.178 Uiso 0.364(3) 1 calc R U P C 6
C50' C 0.1928(17) 0.2651(10) 0.8748(9) 0.132(6) Uani 0.364(3) 1 d D U P C 6
H50D H 0.133622 0.285851 0.890855 0.197 Uiso 0.364(3) 1 calc R U P C 6
H50E H 0.201438 0.277992 0.834162 0.197 Uiso 0.364(3) 1 calc R U P C 6
H50F H 0.261476 0.291385 0.903092 0.197 Uiso 0.364(3) 1 calc R U P C 6
C51' C 0.7929(17) 0.0716(11) 0.8695(8) 0.056(3) Uani 0.364(3) 1 d D U P C 6
C52' C 0.7574(13) 0.0064(9) 0.8174(10) 0.063(3) Uani 0.364(3) 1 d D U P C 6
C53' C 0.7529(17) 0.0416(11) 0.7640(8) 0.062(3) Uani 0.364(3) 1 d D U P C 6
C54' C 0.7932(10) 0.1299(9) 0.7852(5) 0.042(2) Uani 0.364(3) 1 d D U P C 6
C55' C 0.8179(11) 0.1492(8) 0.8513(5) 0.045(2) Uani 0.364(3) 1 d D U P C 6
C56' C 0.8154(18) 0.0530(12) 0.9325(8) 0.129(6) Uani 0.364(3) 1 d D U P C 6
H56D H 0.746192 0.024938 0.944704 0.193 Uiso 0.364(3) 1 calc R U P C 6
H56E H 0.849674 0.104654 0.962525 0.193 Uiso 0.364(3) 1 calc R U P C 6
H56F H 0.864906 0.017535 0.931043 0.193 Uiso 0.364(3) 1 calc R U P C 6
C57' C 0.7327(17) -0.0864(10) 0.8076(9) 0.141(6) Uani 0.364(3) 1 d D U P C 6
H57D H 0.755440 -0.101451 0.846185 0.212 Uiso 0.364(3) 1 calc R U P C 6
H57E H 0.773065 -0.106458 0.775573 0.212 Uiso 0.364(3) 1 calc R U P C 6
H57F H 0.653795 -0.111425 0.794657 0.212 Uiso 0.364(3) 1 calc R U P C 6
C58' C 0.7285(15) 0.0070(11) 0.6937(8) 0.139(7) Uani 0.364(3) 1 d D U P C 6
H58D H 0.796839 0.003343 0.677956 0.208 Uiso 0.364(3) 1 calc R U P C 6
H58E H 0.696659 0.043639 0.673425 0.208 Uiso 0.364(3) 1 calc R U P C 6
H58F H 0.676498 -0.047965 0.685082 0.208 Uiso 0.364(3) 1 calc R U P C 6
C59' C 0.8196(13) 0.2012(10) 0.7500(8) 0.107(5) Uani 0.364(3) 1 d D U P C 6
H59D H 0.797773 0.248272 0.771692 0.160 Uiso 0.364(3) 1 calc R U P C 6
H59E H 0.779080 0.182668 0.708103 0.160 Uiso 0.364(3) 1 calc R U P C 6
H59F H 0.898540 0.217769 0.748142 0.160 Uiso 0.364(3) 1 calc R U P C 6
C60' C 0.8733(14) 0.2307(10) 0.8964(7) 0.122(6) Uani 0.364(3) 1 d D U P C 6
H60D H 0.952871 0.243894 0.896685 0.183 Uiso 0.364(3) 1 calc R U P C 6
H60E H 0.856628 0.226048 0.937922 0.183 Uiso 0.364(3) 1 calc R U P C 6
H60F H 0.845846 0.274613 0.883723 0.183 Uiso 0.364(3) 1 calc R U P C 6
B25' B 0.4338(13) 0.0482(10) 0.7954(8) 0.064(2) Uani 0.364(3) 1 d . U P C 6
B26' B 0.4797(13) 0.1143(10) 0.8676(8) 0.064(3) Uani 0.364(3) 1 d . U P C 6
B34' B 0.5031(14) 0.0994(11) 0.7406(8) 0.072(3) Uani 0.364(3) 1 d . U P C 6
H34' H 0.506965 0.079313 0.690238 0.087 Uiso 0.364(3) 1 calc R U P C 6
B36' B 0.5407(14) 0.0617(11) 0.9191(8) 0.070(3) Uani 0.364(3) 1 d . U P C 6
H36' H 0.587833 0.081121 0.967025 0.084 Uiso 0.364(3) 1 calc R U P C 6
B27 B 0.3788(5) 0.0180(4) 0.9043(3) 0.0768(15) Uani 1 1 d . U . . .
H27 H 0.346865 -0.022451 0.936691 0.092 Uiso 1 1 calc R U . C 5
B28 B 0.3890(6) 0.1166(4) 0.9391(3) 0.0801(16) Uani 1 1 d . U . . .
H28 H 0.378734 0.127714 0.989111 0.096 Uiso 1 1 calc R U . C 6
B29 B 0.4436(4) 0.1967(3) 0.8989(3) 0.0652(13) Uani 1 1 d . U . . .
H29 H 0.448712 0.258536 0.927977 0.078 Uiso 1 1 calc R U . C 5
B30 B 0.3922(5) 0.1521(4) 0.7661(3) 0.0779(15) Uani 1 1 d . U . . .
H30 H 0.374898 0.194404 0.735728 0.094 Uiso 1 1 calc R U . C 5
B31 B 0.3102(6) 0.0553(5) 0.7345(3) 0.0823(17) Uani 1 1 d . U . . .
H31 H 0.265786 0.046104 0.686683 0.099 Uiso 1 1 calc R U . C 6
B32 B 0.3238(5) -0.0262(4) 0.7721(3) 0.0721(15) Uani 1 1 d . U . . .
H32 H 0.267125 -0.086014 0.745080 0.087 Uiso 1 1 calc R U . C 5
B33 B 0.5875(4) 0.2041(3) 0.8687(3) 0.0645(13) Uani 1 1 d . U . . .
H33 H 0.652913 0.254587 0.901058 0.077 Uiso 1 1 calc R U . C 5
B35 B 0.4698(5) -0.0451(3) 0.7902(3) 0.0679(14) Uani 1 1 d . U . . .
H35 H 0.476347 -0.098592 0.754881 0.082 Uiso 1 1 calc R U . C 5
B34 B 0.5611(5) 0.1773(4) 0.7821(3) 0.0728(14) Uani 1 1 d . U . . .
H34 H 0.602691 0.204615 0.745431 0.087 Uiso 1 1 calc R U . C 5
B36 B 0.5117(5) -0.0190(4) 0.8759(3) 0.0761(15) Uani 1 1 d . U . . .
H36 H 0.550311 -0.049389 0.909050 0.091 Uiso 1 1 calc R U . C 5
Ti5 Ti 0.28432(5) 0.08873(4) 0.83949(3) 0.04472(18) Uani 1 1 d . . . . .
Ti6 Ti 0.62107(5) 0.07572(4) 0.82546(3) 0.04171(18) Uani 1 1 d . . . . .
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'
B B 0.0013 0.0007 '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
C2 C1 C5 107.3(11) . . ?
C2 C1 C6 122.2(12) . . ?
C5 C1 C6 130.3(11) . . ?
C2 C1 Ti1 73.4(7) . . ?
C5 C1 Ti1 70.7(10) . . ?
C6 C1 Ti1 125.7(11) . . ?
C1 C2 C3 110.1(11) . . ?
C1 C2 C7 129.6(12) . . ?
C3 C2 C7 120.0(13) . . ?
C1 C2 Ti1 72.5(8) . . ?
C3 C2 Ti1 70.9(7) . . ?
C7 C2 Ti1 127.5(8) . . ?
C2 C3 C4 106.2(9) . . ?
C2 C3 C8 130.4(14) . . ?
C4 C3 C8 122.3(13) . . ?
C2 C3 Ti1 74.4(7) . . ?
C4 C3 Ti1 71.4(6) . . ?
C8 C3 Ti1 128.1(8) . . ?
C5 C4 C3 107.6(9) . . ?
C5 C4 C9 122.9(14) . . ?
C3 C4 C9 129.2(13) . . ?
C5 C4 Ti1 72.3(8) . . ?
C3 C4 Ti1 72.9(6) . . ?
C9 C4 Ti1 124.6(9) . . ?
C1 C5 C4 108.7(10) . . ?
C1 C5 C10 122.0(12) . . ?
C4 C5 C10 128.9(13) . . ?
C1 C5 Ti1 74.7(10) . . ?
C4 C5 Ti1 72.2(7) . . ?
C10 C5 Ti1 124.9(11) . . ?
C1 C6 H6A 109.5 . . ?
C1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C5 C10 H10A 109.5 . . ?
C5 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C5 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C15 C11 C12 106.7(9) . . ?
C15 C11 C16 123.9(14) . . ?
C12 C11 C16 129.1(14) . . ?
C15 C11 Ti2 73.3(9) . . ?
C12 C11 Ti2 71.3(7) . . ?
C16 C11 Ti2 125.3(10) . . ?
C13 C12 C11 109.2(9) . . ?
C13 C12 C17 128.5(14) . . ?
C11 C12 C17 122.0(14) . . ?
C13 C12 Ti2 74.9(6) . . ?
C11 C12 Ti2 73.2(7) . . ?
C17 C12 Ti2 123.3(9) . . ?
C14 C13 C12 106.4(9) . . ?
C14 C13 C18 127.9(13) . . ?
C12 C13 C18 124.9(13) . . ?
C14 C13 Ti2 73.2(6) . . ?
C12 C13 Ti2 70.4(6) . . ?
C18 C13 Ti2 129.0(8) . . ?
C13 C14 C15 109.0(10) . . ?
C13 C14 C19 123.4(12) . . ?
C15 C14 C19 127.5(12) . . ?
C13 C14 Ti2 72.8(6) . . ?
C15 C14 Ti2 71.7(8) . . ?
C19 C14 Ti2 123.9(8) . . ?
C11 C15 C14 108.6(10) . . ?
C11 C15 C20 128.0(13) . . ?
C14 C15 C20 122.6(13) . . ?
C11 C15 Ti2 72.5(8) . . ?
C14 C15 Ti2 73.8(7) . . ?
C20 C15 Ti2 127.7(11) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C12 C17 H17A 109.5 . . ?
C12 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C12 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C13 C18 H18A 109.5 . . ?
C13 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C13 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
B8 B1 B10 117.2(8) . . ?
B8 B1 B5 118.4(10) . . ?
B10 B1 B5 122.7(8) . . ?
B8 B1 B9 71.9(6) . . ?
B10 B1 B9 61.6(5) . . ?
B5 B1 B9 126.8(9) . . ?
B8 B1 B2 103.3(8) . . ?
B10 B1 B2 69.4(6) . . ?
B5 B1 B2 109.2(8) . . ?
B9 B1 B2 118.9(7) . . ?
B8 B1 Ti2 77.0(5) . . ?
B10 B1 Ti2 139.7(8) . . ?
B5 B1 Ti2 67.2(5) . . ?
B9 B1 Ti2 148.8(7) . . ?
B2 B1 Ti2 70.6(5) . . ?
B8 B1 Ti1 126.2(8) . . ?
B10 B1 Ti1 68.2(5) . . ?
B5 B1 Ti1 69.0(5) . . ?
B9 B1 Ti1 65.6(4) . . ?
B2 B1 Ti1 125.3(7) . . ?
Ti2 B1 Ti1 136.2(5) . . ?
B4 B5 B12 119.5(8) . . ?
B4 B5 B1 115.2(9) . . ?
B12 B5 B1 123.0(9) . . ?
B4 B5 B11 72.4(6) . . ?
B12 B5 B11 61.5(5) . . ?
B1 B5 B11 126.1(9) . . ?
B4 B5 B6 105.4(7) . . ?
B12 B5 B6 70.6(6) . . ?
B1 B5 B6 109.2(8) . . ?
B11 B5 B6 120.1(7) . . ?
B4 B5 Ti2 76.0(6) . . ?
B12 B5 Ti2 140.7(8) . . ?
B1 B5 Ti2 67.0(5) . . ?
B11 B5 Ti2 148.4(7) . . ?
B6 B5 Ti2 70.4(5) . . ?
B4 B5 Ti1 124.2(8) . . ?
B12 B5 Ti1 68.3(5) . . ?
B1 B5 Ti1 68.9(5) . . ?
B11 B5 Ti1 65.1(4) . . ?
B6 B5 Ti1 126.4(7) . . ?
Ti2 B5 Ti1 135.9(5) . . ?
C5' C1' C2' 108.1(10) . . ?
C5' C1' C6' 126.0(12) . . ?
C2' C1' C6' 125.3(12) . . ?
C5' C1' Ti1 75.4(9) . . ?
C2' C1' Ti1 72.2(7) . . ?
C6' C1' Ti1 125.5(10) . . ?
C3' C2' C1' 107.7(9) . . ?
C3' C2' C7' 124.7(13) . . ?
C1' C2' C7' 127.2(13) . . ?
C3' C2' Ti1 74.1(6) . . ?
C1' C2' Ti1 72.4(8) . . ?
C7' C2' Ti1 125.1(8) . . ?
C4' C3' C2' 107.9(8) . . ?
C4' C3' C8' 124.8(12) . . ?
C2' C3' C8' 127.1(12) . . ?
C4' C3' Ti1 74.4(6) . . ?
C2' C3' Ti1 71.1(6) . . ?
C8' C3' Ti1 124.1(7) . . ?
C3' C4' C5' 108.3(10) . . ?
C3' C4' C9' 124.9(11) . . ?
C5' C4' C9' 126.4(11) . . ?
C3' C4' Ti1 71.4(6) . . ?
C5' C4' Ti1 72.6(8) . . ?
C9' C4' Ti1 127.5(7) . . ?
C1' C5' C4' 108.0(10) . . ?
C1' C5' C10' 126.7(12) . . ?
C4' C5' C10' 125.1(13) . . ?
C1' C5' Ti1 70.3(9) . . ?
C4' C5' Ti1 73.3(7) . . ?
C10' C5' Ti1 126.4(11) . . ?
C1' C6' H6D 109.5 . . ?
C1' C6' H6E 109.5 . . ?
H6D C6' H6E 109.5 . . ?
C1' C6' H6F 109.5 . . ?
H6D C6' H6F 109.5 . . ?
H6E C6' H6F 109.5 . . ?
C2' C7' H7D 109.5 . . ?
C2' C7' H7E 109.5 . . ?
H7D C7' H7E 109.5 . . ?
C2' C7' H7F 109.5 . . ?
H7D C7' H7F 109.5 . . ?
H7E C7' H7F 109.5 . . ?
C3' C8' H8D 109.5 . . ?
C3' C8' H8E 109.5 . . ?
H8D C8' H8E 109.5 . . ?
C3' C8' H8F 109.5 . . ?
H8D C8' H8F 109.5 . . ?
H8E C8' H8F 109.5 . . ?
C4' C9' H9D 109.5 . . ?
C4' C9' H9E 109.5 . . ?
H9D C9' H9E 109.5 . . ?
C4' C9' H9F 109.5 . . ?
H9D C9' H9F 109.5 . . ?
H9E C9' H9F 109.5 . . ?
C5' C10' H10D 109.5 . . ?
C5' C10' H10E 109.5 . . ?
H10D C10' H10E 109.5 . . ?
C5' C10' H10F 109.5 . . ?
H10D C10' H10F 109.5 . . ?
H10E C10' H10F 109.5 . . ?
C15' C11' C12' 108.7(10) . . ?
C15' C11' C16' 126.6(12) . . ?
C12' C11' C16' 124.0(12) . . ?
C15' C11' Ti2 74.8(7) . . ?
C12' C11' Ti2 72.0(6) . . ?
C16' C11' Ti2 126.9(7) . . ?
C13' C12' C11' 106.6(8) . . ?
C13' C12' C17' 126.4(14) . . ?
C11' C12' C17' 126.7(14) . . ?
C13' C12' Ti2 70.7(7) . . ?
C11' C12' Ti2 72.9(6) . . ?
C17' C12' Ti2 126.4(8) . . ?
C12' C13' C14' 109.0(9) . . ?
C12' C13' C18' 127.1(14) . . ?
C14' C13' C18' 122.8(14) . . ?
C12' C13' Ti2 74.7(6) . . ?
C14' C13' Ti2 74.7(8) . . ?
C18' C13' Ti2 126.6(9) . . ?
C15' C14' C13' 108.2(10) . . ?
C15' C14' C19' 121.8(13) . . ?
C13' C14' C19' 129.8(13) . . ?
C15' C14' Ti2 75.0(8) . . ?
C13' C14' Ti2 70.4(8) . . ?
C19' C14' Ti2 124.2(11) . . ?
C11' C15' C14' 107.4(10) . . ?
C11' C15' C20' 123.3(12) . . ?
C14' C15' C20' 129.1(12) . . ?
C11' C15' Ti2 71.2(6) . . ?
C14' C15' Ti2 70.9(8) . . ?
C20' C15' Ti2 127.5(9) . . ?
C11' C16' H16D 109.5 . . ?
C11' C16' H16E 109.5 . . ?
H16D C16' H16E 109.5 . . ?
C11' C16' H16F 109.5 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
C12' C17' H17D 109.5 . . ?
C12' C17' H17E 109.5 . . ?
H17D C17' H17E 109.5 . . ?
C12' C17' H17F 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
C13' C18' H18D 109.5 . . ?
C13' C18' H18E 109.5 . . ?
H18D C18' H18E 109.5 . . ?
C13' C18' H18F 109.5 . . ?
H18D C18' H18F 109.5 . . ?
H18E C18' H18F 109.5 . . ?
C14' C19' H19D 109.5 . . ?
C14' C19' H19E 109.5 . . ?
H19D C19' H19E 109.5 . . ?
C14' C19' H19F 109.5 . . ?
H19D C19' H19F 109.5 . . ?
H19E C19' H19F 109.5 . . ?
C15' C20' H20D 109.5 . . ?
C15' C20' H20E 109.5 . . ?
H20D C20' H20E 109.5 . . ?
C15' C20' H20F 109.5 . . ?
H20D C20' H20F 109.5 . . ?
H20E C20' H20F 109.5 . . ?
B5' B1' B2 128.2(11) . . ?
B5' B1' B10 113.6(11) . . ?
B2 B1' B10 71.2(6) . . ?
B5' B1' B11' 113.7(11) . . ?
B2 B1' B11' 116.4(10) . . ?
B10 B1' B11' 98.3(9) . . ?
B5' B1' B3 126.3(10) . . ?
B2 B1' B3 59.3(6) . . ?
B10 B1' B3 117.4(8) . . ?
B11' B1' B3 74.6(8) . . ?
B5' B1' B4 84.5(9) . . ?
B2 B1' B4 106.1(8) . . ?
B10 B1' B4 159.4(10) . . ?
B11' B1' B4 63.9(7) . . ?
B3 B1' B4 50.1(5) . . ?
B5' B1' Ti1 67.8(7) . . ?
B2 B1' Ti1 141.9(8) . . ?
B10 B1' Ti1 70.7(5) . . ?
B11' B1' Ti1 71.2(6) . . ?
B3 B1' Ti1 145.7(9) . . ?
B4 B1' Ti1 110.1(7) . . ?
B5' B1' Ti2 69.3(7) . . ?
B2 B1' Ti2 69.7(5) . . ?
B10 B1' Ti2 128.2(8) . . ?
B11' B1' Ti2 129.1(9) . . ?
B3 B1' Ti2 66.9(5) . . ?
B4 B1' Ti2 66.1(5) . . ?
Ti1 B1' Ti2 137.1(7) . . ?
B1' B5' B6 127.4(11) . . ?
B1' B5' B12 114.9(11) . . ?
B6 B5' B12 72.1(7) . . ?
B1' B5' B9' 112.9(11) . . ?
B6 B5' B9' 117.4(10) . . ?
B12 B5' B9' 98.6(9) . . ?
B1' B5' B7 125.0(10) . . ?
B6 B5' B7 58.5(6) . . ?
B12 B5' B7 117.3(9) . . ?
B9' B5' B7 75.3(7) . . ?
B1' B5' Ti1 69.0(7) . . ?
B6 B5' Ti1 143.6(8) . . ?
B12 B5' Ti1 71.5(6) . . ?
B9' B5' Ti1 69.6(6) . . ?
B7 B5' Ti1 144.8(8) . . ?
B1' B5' Ti2 68.6(7) . . ?
B6 B5' Ti2 69.0(5) . . ?
B12 B5' Ti2 129.0(8) . . ?
B9' B5' Ti2 128.2(9) . . ?
B7 B5' Ti2 66.0(5) . . ?
Ti1 B5' Ti2 137.6(7) . . ?
B9 B9' B5' 94.1(8) . . ?
B9 B9' B8 63.4(5) . . ?
B5' B9' B8 68.7(7) . . ?
B9 B9' Ti1 69.4(4) . . ?
B5' B9' Ti1 66.0(6) . . ?
B8 B9' Ti1 109.7(5) . . ?
B9 B9' H9' 133.4 . . ?
B5' B9' H9' 132.5 . . ?
B8 B9' H9' 125.9 . . ?
Ti1 B9' H9' 124.4 . . ?
B11 B11' B1' 91.3(8) . . ?
B11 B11' B4 64.6(6) . . ?
B1' B11' B4 66.0(7) . . ?
B11 B11' Ti1 66.8(5) . . ?
B1' B11' Ti1 65.0(6) . . ?
B4 B11' Ti1 107.5(6) . . ?
B11 B11' H11' 134.3 . . ?
B1' B11' H11' 134.4 . . ?
B4 B11' H11' 126.5 . . ?
Ti1 B11' H11' 126.0 . . ?
B1' B2 B3 64.2(6) . . ?
B3 B2 B1 92.4(5) . . ?
B1' B2 B10 55.4(6) . . ?
B3 B2 B10 108.8(5) . . ?
B1 B2 B10 52.0(5) . . ?
B1' B2 Ti2 67.7(5) . . ?
B3 B2 Ti2 67.2(3) . . ?
B1 B2 Ti2 62.5(4) . . ?
B10 B2 Ti2 114.3(4) . . ?
B3 B2 H2 116.2 . . ?
B1 B2 H2 151.4 . . ?
B10 B2 H2 112.3 . . ?
Ti2 B2 H2 128.3 . . ?
B4 B3 B2 124.7(6) . . ?
B4 B3 B1' 72.8(6) . . ?
B2 B3 B1' 56.5(6) . . ?
B4 B3 Ti2 72.0(4) . . ?
B2 B3 Ti2 68.9(3) . . ?
B1' B3 Ti2 66.7(5) . . ?
B4 B3 H3 113.6 . . ?
B2 B3 H3 121.3 . . ?
B1' B3 H3 150.1 . . ?
Ti2 B3 H3 143.0 . . ?
B5 B4 B3 97.4(7) . . ?
B5 B4 B11 57.5(5) . . ?
B3 B4 B11 118.3(6) . . ?
B3 B4 B11' 70.5(5) . . ?
B11 B4 B11' 49.1(5) . . ?
B3 B4 B1' 57.1(5) . . ?
B11 B4 B1' 73.6(5) . . ?
B11' B4 B1' 50.0(6) . . ?
B5 B4 Ti2 63.2(5) . . ?
B3 B4 Ti2 66.7(4) . . ?
B11 B4 Ti2 120.7(4) . . ?
B11' B4 Ti2 111.2(5) . . ?
B1' B4 Ti2 61.8(5) . . ?
B5 B4 H4 150.7 . . ?
B3 B4 H4 111.8 . . ?
B11 B4 H4 105.1 . . ?
Ti2 B4 H4 128.8 . . ?
B5' B6 B7 65.8(6) . . ?
B7 B6 B5 92.8(5) . . ?
B5' B6 B12 54.5(6) . . ?
B7 B6 B12 109.1(6) . . ?
B5 B6 B12 51.6(5) . . ?
B5' B6 Ti2 68.4(5) . . ?
B7 B6 Ti2 67.3(3) . . ?
B5 B6 Ti2 63.1(4) . . ?
B12 B6 Ti2 114.5(4) . . ?
B7 B6 H6 115.9 . . ?
B5 B6 H6 151.2 . . ?
B12 B6 H6 112.3 . . ?
Ti2 B6 H6 128.0 . . ?
B6 B7 B8 125.0(6) . . ?
B6 B7 B5' 55.7(6) . . ?
B8 B7 B5' 74.2(6) . . ?
B6 B7 Ti2 68.6(3) . . ?
B8 B7 Ti2 72.0(4) . . ?
B5' B7 Ti2 66.5(5) . . ?
B6 B7 H7 121.7 . . ?
B8 B7 H7 113.0 . . ?
B5' B7 H7 149.9 . . ?
Ti2 B7 H7 143.4 . . ?
B1 B8 B7 93.4(7) . . ?
B1 B8 B9 57.5(5) . . ?
B7 B8 B9 115.4(6) . . ?
B7 B8 B9' 69.0(5) . . ?
B9 B8 B9' 47.3(4) . . ?
B1 B8 Ti2 62.1(5) . . ?
B7 B8 Ti2 64.9(3) . . ?
B9 B8 Ti2 119.6(4) . . ?
B9' B8 Ti2 107.3(5) . . ?
B1 B8 H8 151.6 . . ?
B7 B8 H8 115.0 . . ?
B9 B8 H8 106.1 . . ?
Ti2 B8 H8 129.2 . . ?
B9' B9 B10 124.6(5) . . ?
B10 B9 B1 56.4(5) . . ?
B9' B9 B8 69.3(5) . . ?
B10 B9 B8 96.6(5) . . ?
B1 B9 B8 50.6(5) . . ?
B9' B9 Ti1 68.9(4) . . ?
B10 B9 Ti1 68.9(3) . . ?
B1 B9 Ti1 70.1(4) . . ?
B8 B9 Ti1 112.8(4) . . ?
B10 B9 H9 133.7 . . ?
B1 B9 H9 166.4 . . ?
B8 B9 H9 115.8 . . ?
Ti1 B9 H9 120.3 . . ?
B11' B11 B12 127.1(6) . . ?
B12 B11 B5 56.1(5) . . ?
B11' B11 B4 66.4(6) . . ?
B12 B11 B4 97.2(5) . . ?
B5 B11 B4 50.1(5) . . ?
B11' B11 Ti1 71.2(5) . . ?
B12 B11 Ti1 69.4(3) . . ?
B5 B11 Ti1 70.5(4) . . ?
B4 B11 Ti1 111.2(4) . . ?
B12 B11 H11 133.2 . . ?
B5 B11 H11 166.3 . . ?
B4 B11 H11 116.3 . . ?
Ti1 B11 H11 120.5 . . ?
B1 B10 B9 62.0(5) . . ?
B1' B10 B9 91.3(6) . . ?
B1 B10 B2 58.5(5) . . ?
B1' B10 B2 53.3(5) . . ?
B9 B10 B2 110.5(5) . . ?
B1 B10 Ti1 70.5(5) . . ?
B1' B10 Ti1 65.4(5) . . ?
B9 B10 Ti1 66.6(3) . . ?
B2 B10 Ti1 118.8(4) . . ?
B1 B10 H10 165.2 . . ?
B9 B10 H10 129.1 . . ?
B2 B10 H10 106.7 . . ?
Ti1 B10 H10 121.3 . . ?
B5 B12 B11 62.3(6) . . ?
B5' B12 B11 90.3(6) . . ?
B5 B12 B6 57.8(5) . . ?
B5' B12 B6 53.5(6) . . ?
B11 B12 B6 110.4(5) . . ?
B5 B12 Ti1 70.7(5) . . ?
B5' B12 Ti1 65.0(5) . . ?
B11 B12 Ti1 66.2(3) . . ?
B6 B12 Ti1 118.4(4) . . ?
B5 B12 H12 164.9 . . ?
B11 B12 H12 129.1 . . ?
B6 B12 H12 107.1 . . ?
Ti1 B12 H12 121.5 . . ?
B5' Ti1 B1' 43.1(5) . . ?
B5' Ti1 C2' 136.3(5) . . ?
B1' Ti1 C2' 156.5(5) . . ?
B5' Ti1 B11 65.4(4) . . ?
B1' Ti1 B11 64.5(4) . . ?
C2' Ti1 B11 93.3(3) . . ?
B5' Ti1 C1' 159.7(5) . . ?
B1' Ti1 C1' 133.4(5) . . ?
C2' Ti1 C1' 35.4(3) . . ?
B11 Ti1 C1' 94.7(4) . . ?
B11 Ti1 C4 138.8(4) . . ?
B11 Ti1 C5 135.5(4) . . ?
C4 Ti1 C5 35.5(4) . . ?
B5' Ti1 B9' 44.4(5) . . ?
B1' Ti1 B9' 76.1(5) . . ?
C2' Ti1 B9' 120.3(5) . . ?
B11 Ti1 B9' 106.4(3) . . ?
C1' Ti1 B9' 149.9(4) . . ?
B5' Ti1 B9 65.3(4) . . ?
B1' Ti1 B9 66.2(4) . . ?
C2' Ti1 B9 137.4(4) . . ?
B11 Ti1 B9 126.7(2) . . ?
C1' Ti1 B9 134.7(4) . . ?
C4 Ti1 B9 91.8(4) . . ?
C5 Ti1 B9 93.8(4) . . ?
B9' Ti1 B9 41.7(3) . . ?
B11 Ti1 C3 103.4(4) . . ?
C4 Ti1 C3 35.7(3) . . ?
C5 Ti1 C3 59.0(4) . . ?
B9 Ti1 C3 122.2(4) . . ?
B5' Ti1 C3' 128.6(4) . . ?
B1' Ti1 C3' 167.9(5) . . ?
C2' Ti1 C3' 34.8(3) . . ?
B11 Ti1 C3' 123.2(4) . . ?
C1' Ti1 C3' 58.0(4) . . ?
B9' Ti1 C3' 92.2(4) . . ?
B9 Ti1 C3' 102.9(4) . . ?
B5' Ti1 B10 76.1(4) . . ?
B1' Ti1 B10 43.9(4) . . ?
C2' Ti1 B10 147.6(3) . . ?
B11 Ti1 B10 104.2(3) . . ?
C1' Ti1 B10 114.8(4) . . ?
C4 Ti1 B10 114.8(4) . . ?
C5 Ti1 B10 92.1(4) . . ?
B9' Ti1 B10 80.9(4) . . ?
B9 Ti1 B10 44.5(2) . . ?
C3 Ti1 B10 149.6(4) . . ?
C3' Ti1 B10 131.9(4) . . ?
B1 Ti2 B5 45.8(4) . . ?
C13' Ti2 B1' 136.5(5) . . ?
B1 Ti2 B7 65.9(4) . . ?
B5 Ti2 B7 69.1(4) . . ?
C13' Ti2 B7 136.4(4) . . ?
B1' Ti2 B7 85.3(4) . . ?
B1 Ti2 B3 69.2(4) . . ?
B5 Ti2 B3 66.0(4) . . ?
C13' Ti2 B3 90.3(4) . . ?
B1' Ti2 B3 46.4(4) . . ?
B7 Ti2 B3 131.0(3) . . ?
B1 Ti2 C12 128.7(4) . . ?
B5 Ti2 C12 170.1(5) . . ?
B7 Ti2 C12 117.9(5) . . ?
B3 Ti2 C12 104.8(5) . . ?
C13' Ti2 B5' 155.1(5) . . ?
B1' Ti2 B5' 42.1(5) . . ?
B7 Ti2 B5' 47.5(4) . . ?
B3 Ti2 B5' 84.3(4) . . ?
B1 Ti2 B6 78.2(4) . . ?
B5 Ti2 B6 46.5(4) . . ?
C13' Ti2 B6 118.3(5) . . ?
B1' Ti2 B6 80.7(4) . . ?
B7 Ti2 B6 44.1(3) . . ?
B3 Ti2 B6 108.5(3) . . ?
C12 Ti2 B6 143.4(4) . . ?
B5' Ti2 B6 42.6(4) . . ?
B1 Ti2 C11 135.2(4) . . ?
B5 Ti2 C11 154.3(5) . . ?
B7 Ti2 C11 88.1(4) . . ?
B3 Ti2 C11 139.3(4) . . ?
C12 Ti2 C11 35.4(3) . . ?
B6 Ti2 C11 108.6(4) . . ?
B1 Ti2 B2 46.9(4) . . ?
B5 Ti2 B2 78.5(4) . . ?
C13' Ti2 B2 111.8(4) . . ?
B1' Ti2 B2 42.5(4) . . ?
B7 Ti2 B2 108.8(3) . . ?
B3 Ti2 B2 43.9(3) . . ?
C12 Ti2 B2 92.2(4) . . ?
B5' Ti2 B2 80.6(4) . . ?
B6 Ti2 B2 122.4(3) . . ?
C11 Ti2 B2 121.8(5) . . ?
B1 Ti2 C15 157.8(5) . . ?
B5 Ti2 C15 131.3(5) . . ?
B7 Ti2 C15 92.2(4) . . ?
B3 Ti2 C15 132.6(4) . . ?
C12 Ti2 C15 57.5(5) . . ?
B6 Ti2 C15 88.4(4) . . ?
C11 Ti2 C15 34.2(4) . . ?
B2 Ti2 C15 149.1(4) . . ?
C22 C21 C25 107.6(9) . . ?
C22 C21 C26 127.4(10) . . ?
C25 C21 C26 124.6(10) . . ?
C22 C21 Ti3 74.0(6) . . ?
C25 C21 Ti3 72.3(6) . . ?
C26 C21 Ti3 125.0(8) . . ?
C23 C22 C21 107.4(10) . . ?
C23 C22 C27 128.3(10) . . ?
C21 C22 C27 124.1(10) . . ?
C23 C22 Ti3 72.2(10) . . ?
C21 C22 Ti3 71.5(5) . . ?
C27 C22 Ti3 125.8(10) . . ?
C24 C23 C22 107.9(12) . . ?
C24 C23 C28 128.6(12) . . ?
C22 C23 C28 122.7(11) . . ?
C24 C23 Ti3 70.9(10) . . ?
C22 C23 Ti3 73.5(9) . . ?
C28 C23 Ti3 128.9(15) . . ?
C25 C24 C23 109.1(11) . . ?
C25 C24 C29 128.1(12) . . ?
C23 C24 C29 122.5(12) . . ?
C25 C24 Ti3 73.8(9) . . ?
C23 C24 Ti3 74.7(11) . . ?
C29 C24 Ti3 122.2(13) . . ?
C24 C25 C21 107.9(9) . . ?
C24 C25 C30 123.8(12) . . ?
C21 C25 C30 127.9(11) . . ?
C24 C25 Ti3 71.9(9) . . ?
C21 C25 Ti3 72.8(6) . . ?
C30 C25 Ti3 126.4(9) . . ?
C21 C26 H26A 109.5 . . ?
C21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C22 C27 H27A 109.5 . . ?
C22 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C22 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 H28A 109.5 . . ?
C23 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C23 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C25 C30 H30A 109.5 . . ?
C25 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C25 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C32 C31 C35 107.9(9) . . ?
C32 C31 C36 128.6(9) . . ?
C35 C31 C36 123.4(9) . . ?
C32 C31 Ti4 72.4(7) . . ?
C35 C31 Ti4 70.8(5) . . ?
C36 C31 Ti4 125.8(7) . . ?
C31 C32 C33 108.2(11) . . ?
C31 C32 C37 122.5(10) . . ?
C33 C32 C37 128.7(10) . . ?
C31 C32 Ti4 73.2(7) . . ?
C33 C32 Ti4 71.7(13) . . ?
C37 C32 Ti4 128.2(10) . . ?
C34 C33 C32 108.1(12) . . ?
C34 C33 C38 129.2(11) . . ?
C32 C33 C38 122.6(11) . . ?
C34 C33 Ti4 72.0(12) . . ?
C32 C33 Ti4 73.3(11) . . ?
C38 C33 Ti4 123.0(18) . . ?
C33 C34 C35 107.8(10) . . ?
C33 C34 C39 122.9(11) . . ?
C35 C34 C39 129.2(11) . . ?
C33 C34 Ti4 73.1(13) . . ?
C35 C34 Ti4 72.3(6) . . ?
C39 C34 Ti4 123.7(10) . . ?
C31 C35 C34 108.0(8) . . ?
C31 C35 C40 127.6(11) . . ?
C34 C35 C40 123.7(11) . . ?
C31 C35 Ti4 74.3(5) . . ?
C34 C35 Ti4 72.3(7) . . ?
C40 C35 Ti4 126.3(7) . . ?
C31 C36 H36A 109.5 . . ?
C31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C32 C37 H37A 109.5 . . ?
C32 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C32 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C33 C38 H38A 109.5 . . ?
C33 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C33 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C35 C40 H40A 109.5 . . ?
C35 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C35 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
B21 B13 B18 70.8(4) . . ?
B21 B13 B17 120.6(5) . . ?
B18 B13 B17 109.3(5) . . ?
B21 B13 B14 124.8(6) . . ?
B18 B13 B14 111.4(5) . . ?
B17 B13 B14 110.6(5) . . ?
B21 B13 B22 62.3(4) . . ?
B18 B13 B22 122.2(5) . . ?
B17 B13 B22 71.5(4) . . ?
B14 B13 B22 122.2(5) . . ?
B21 B13 Ti3 144.0(5) . . ?
B18 B13 Ti3 73.3(3) . . ?
B17 B13 Ti3 74.3(4) . . ?
B14 B13 Ti3 67.1(4) . . ?
B22 B13 Ti3 145.6(5) . . ?
B21 B13 Ti4 68.1(3) . . ?
B18 B13 Ti4 125.2(4) . . ?
B17 B13 Ti4 122.2(4) . . ?
B14 B13 Ti4 68.1(4) . . ?
B22 B13 Ti4 64.7(3) . . ?
Ti3 B13 Ti4 135.2(3) . . ?
B24 B14 B20 121.4(6) . . ?
B24 B14 B15 70.3(4) . . ?
B20 B14 B15 109.4(5) . . ?
B24 B14 B13 125.7(6) . . ?
B20 B14 B13 109.3(5) . . ?
B15 B14 B13 110.9(5) . . ?
B24 B14 B23 62.1(4) . . ?
B20 B14 B23 72.2(4) . . ?
B15 B14 B23 121.3(5) . . ?
B13 B14 B23 123.9(6) . . ?
B24 B14 Ti3 142.8(5) . . ?
B20 B14 Ti3 74.2(4) . . ?
B15 B14 Ti3 72.5(3) . . ?
B13 B14 Ti3 66.3(4) . . ?
B23 B14 Ti3 146.3(5) . . ?
B24 B14 Ti4 68.3(3) . . ?
B20 B14 Ti4 122.7(5) . . ?
B15 B14 Ti4 124.9(4) . . ?
B13 B14 Ti4 69.1(4) . . ?
B23 B14 Ti4 65.5(3) . . ?
Ti3 B14 Ti4 135.4(4) . . ?
C25' C21' C22' 106.9(11) . . ?
C25' C21' C26' 133.8(14) . . ?
C22' C21' C26' 118.2(13) . . ?
C25' C21' Ti3 75.0(8) . . ?
C22' C21' Ti3 71.3(9) . . ?
C26' C21' Ti3 127.4(10) . . ?
C23' C22' C21' 108.8(13) . . ?
C23' C22' C27' 117.6(14) . . ?
C21' C22' C27' 133.2(14) . . ?
C23' C22' Ti3 76.8(14) . . ?
C21' C22' Ti3 72.7(8) . . ?
C27' C22' Ti3 122.3(14) . . ?
C22' C23' C24' 106.6(15) . . ?
C22' C23' C28' 134.2(14) . . ?
C24' C23' C28' 118.9(15) . . ?
C22' C23' Ti3 69.3(13) . . ?
C24' C23' Ti3 72.7(13) . . ?
C28' C23' Ti3 127.6(18) . . ?
C25' C24' C23' 109.2(15) . . ?
C25' C24' C29' 120.0(13) . . ?
C23' C24' C29' 130.5(13) . . ?
C25' C24' Ti3 72.4(11) . . ?
C23' C24' Ti3 73.2(14) . . ?
C29' C24' Ti3 125.4(15) . . ?
C21' C25' C24' 108.3(13) . . ?
C21' C25' C30' 119.9(12) . . ?
C24' C25' C30' 131.3(12) . . ?
C21' C25' Ti3 70.9(8) . . ?
C24' C25' Ti3 73.9(12) . . ?
C30' C25' Ti3 127.0(10) . . ?
C21' C26' H26D 109.5 . . ?
C21' C26' H26E 109.5 . . ?
H26D C26' H26E 109.5 . . ?
C21' C26' H26F 109.5 . . ?
H26D C26' H26F 109.5 . . ?
H26E C26' H26F 109.5 . . ?
C22' C27' H27D 109.5 . . ?
C22' C27' H27E 109.5 . . ?
H27D C27' H27E 109.5 . . ?
C22' C27' H27F 109.5 . . ?
H27D C27' H27F 109.5 . . ?
H27E C27' H27F 109.5 . . ?
C23' C28' H28D 109.5 . . ?
C23' C28' H28E 109.5 . . ?
H28D C28' H28E 109.5 . . ?
C23' C28' H28F 109.5 . . ?
H28D C28' H28F 109.5 . . ?
H28E C28' H28F 109.5 . . ?
C24' C29' H29D 109.5 . . ?
C24' C29' H29E 109.5 . . ?
H29D C29' H29E 109.5 . . ?
C24' C29' H29F 109.5 . . ?
H29D C29' H29F 109.5 . . ?
H29E C29' H29F 109.5 . . ?
C25' C30' H30D 109.5 . . ?
C25' C30' H30E 109.5 . . ?
H30D C30' H30E 109.5 . . ?
C25' C30' H30F 109.5 . . ?
H30D C30' H30F 109.5 . . ?
H30E C30' H30F 109.5 . . ?
C32' C31' C35' 107.2(11) . . ?
C32' C31' C36' 125.1(15) . . ?
C35' C31' C36' 127.3(14) . . ?
C32' C31' Ti4 72.5(11) . . ?
C35' C31' Ti4 75.9(8) . . ?
C36' C31' Ti4 123.1(11) . . ?
C31' C32' C33' 108.0(14) . . ?
C31' C32' C37' 126.3(15) . . ?
C33' C32' C37' 125.5(15) . . ?
C31' C32' Ti4 72.8(10) . . ?
C33' C32' Ti4 72.7(19) . . ?
C37' C32' Ti4 124.9(15) . . ?
C34' C33' C32' 109.2(16) . . ?
C34' C33' C38' 123.3(15) . . ?
C32' C33' C38' 126.9(16) . . ?
C34' C33' Ti4 76.0(17) . . ?
C32' C33' Ti4 72.5(17) . . ?
C38' C33' Ti4 125(3) . . ?
C33' C34' C35' 107.5(15) . . ?
C33' C34' C39' 129.8(14) . . ?
C35' C34' C39' 122.0(14) . . ?
C33' C34' Ti4 70.0(18) . . ?
C35' C34' Ti4 73.6(9) . . ?
C39' C34' Ti4 128.7(15) . . ?
C34' C35' C31' 107.9(12) . . ?
C34' C35' C40' 129.2(14) . . ?
C31' C35' C40' 122.6(13) . . ?
C34' C35' Ti4 72.7(10) . . ?
C31' C35' Ti4 69.3(7) . . ?
C40' C35' Ti4 127.3(10) . . ?
C31' C36' H36D 109.5 . . ?
C31' C36' H36E 109.5 . . ?
H36D C36' H36E 109.5 . . ?
C31' C36' H36F 109.5 . . ?
H36D C36' H36F 109.5 . . ?
H36E C36' H36F 109.5 . . ?
C32' C37' H37D 109.5 . . ?
C32' C37' H37E 109.5 . . ?
H37D C37' H37E 109.5 . . ?
C32' C37' H37F 109.5 . . ?
H37D C37' H37F 109.5 . . ?
H37E C37' H37F 109.5 . . ?
C33' C38' H38D 109.5 . . ?
C33' C38' H38E 109.5 . . ?
H38D C38' H38E 109.5 . . ?
C33' C38' H38F 109.5 . . ?
H38D C38' H38F 109.5 . . ?
H38E C38' H38F 109.5 . . ?
C34' C39' H39D 109.5 . . ?
C34' C39' H39E 109.5 . . ?
H39D C39' H39E 109.5 . . ?
C34' C39' H39F 109.5 . . ?
H39D C39' H39F 109.5 . . ?
H39E C39' H39F 109.5 . . ?
C35' C40' H40D 109.5 . . ?
C35' C40' H40E 109.5 . . ?
H40D C40' H40E 109.5 . . ?
C35' C40' H40F 109.5 . . ?
H40D C40' H40F 109.5 . . ?
H40E C40' H40F 109.5 . . ?
B18 B13' B21 71.1(5) . . ?
B18 B13' B23' 121.5(8) . . ?
B21 B13' B23' 108.9(8) . . ?
B18 B13' B14' 127.6(8) . . ?
B21 B13' B14' 111.9(7) . . ?
B23' B13' B14' 107.2(8) . . ?
B18 B13' B19 58.4(4) . . ?
B21 B13' B19 119.8(6) . . ?
B23' B13' B19 76.1(6) . . ?
B14' B13' B19 123.9(7) . . ?
B18 B13' B20 103.2(6) . . ?
B21 B13' B20 160.7(7) . . ?
B23' B13' B20 57.5(6) . . ?
B14' B13' B20 86.4(6) . . ?
B19 B13' B20 47.1(4) . . ?
B18 B13' Ti4 142.9(7) . . ?
B21 B13' Ti4 71.9(4) . . ?
B23' B13' Ti4 73.0(6) . . ?
B14' B13' Ti4 66.3(5) . . ?
B19 B13' Ti4 149.1(6) . . ?
B20 B13' Ti4 112.4(5) . . ?
B18 B13' Ti3 69.7(4) . . ?
B21 B13' Ti3 126.7(6) . . ?
B23' B13' Ti3 121.9(7) . . ?
B14' B13' Ti3 69.0(5) . . ?
B19 B13' Ti3 63.6(4) . . ?
B20 B13' Ti3 64.4(4) . . ?
Ti4 B13' Ti3 135.3(5) . . ?
B15 B14' B24 71.9(5) . . ?
B15 B14' B22' 122.3(8) . . ?
B24 B14' B22' 108.9(7) . . ?
B15 B14' B13' 126.0(8) . . ?
B24 B14' B13' 112.0(8) . . ?
B22' B14' B13' 107.6(8) . . ?
B15 B14' B16 58.7(5) . . ?
B24 B14' B16 120.8(7) . . ?
B22' B14' B16 76.3(6) . . ?
B13' B14' B16 122.4(7) . . ?
B15 B14' Ti4 144.2(7) . . ?
B24 B14' Ti4 72.4(4) . . ?
B22' B14' Ti4 72.5(6) . . ?
B13' B14' Ti4 66.9(5) . . ?
B16 B14' Ti4 148.8(6) . . ?
B15 B14' Ti3 69.1(4) . . ?
B24 B14' Ti3 126.8(6) . . ?
B22' B14' Ti3 122.1(7) . . ?
B13' B14' Ti3 67.6(5) . . ?
B16 B14' Ti3 63.5(4) . . ?
Ti4 B14' Ti3 134.5(5) . . ?
B22 B22' B14' 100.3(8) . . ?
B22 B22' B17 73.8(6) . . ?
B14' B22' B17 72.0(6) . . ?
B22 B22' Ti4 69.9(5) . . ?
B14' B22' Ti4 63.6(5) . . ?
B17 B22' Ti4 114.5(6) . . ?
B22 B22' H22' 127.7 . . ?
B14' B22' H22' 131.9 . . ?
B17 B22' H22' 119.8 . . ?
Ti4 B22' H22' 125.6 . . ?
B23 B23' B13' 100.0(8) . . ?
B23 B23' B20 75.9(6) . . ?
B13' B23' B20 71.0(6) . . ?
B23 B23' Ti4 69.4(5) . . ?
B13' B23' Ti4 63.0(5) . . ?
B20 B23' Ti4 114.4(6) . . ?
B23 B23' H23' 127.0 . . ?
B13' B23' H23' 132.8 . . ?
B20 B23' H23' 119.3 . . ?
Ti4 B23' H23' 126.2 . . ?
B14' B15 B16 69.7(5) . . ?
B14 B15 B16 97.2(4) . . ?
B14' B15 B24 55.8(4) . . ?
B14 B15 B24 53.1(3) . . ?
B16 B15 B24 116.7(4) . . ?
B14' B15 Ti3 71.3(4) . . ?
B14 B15 Ti3 63.5(3) . . ?
B16 B15 Ti3 66.3(3) . . ?
B24 B15 Ti3 116.5(3) . . ?
B14 B15 H15 150.7 . . ?
B16 B15 H15 112.0 . . ?
B24 B15 H15 108.7 . . ?
Ti3 B15 H15 129.5 . . ?
B17 B16 B15 121.3(5) . . ?
B17 B16 B14' 73.5(5) . . ?
B15 B16 B14' 51.5(4) . . ?
B17 B16 Ti3 72.6(3) . . ?
B15 B16 Ti3 69.4(3) . . ?
B14' B16 Ti3 68.1(4) . . ?
B17 B16 H16 114.0 . . ?
B15 B16 H16 123.8 . . ?
B14' B16 H16 150.8 . . ?
Ti3 B16 H16 140.8 . . ?
B16 B17 B13 99.8(5) . . ?
B16 B17 B22' 78.0(5) . . ?
B16 B17 B22 119.4(5) . . ?
B13 B17 B22 56.7(4) . . ?
B22' B17 B22 42.6(4) . . ?
B16 B17 Ti3 66.7(3) . . ?
B13 B17 Ti3 62.1(3) . . ?
B22' B17 Ti3 112.5(5) . . ?
B22 B17 Ti3 118.7(3) . . ?
B16 B17 H17 110.1 . . ?
B13 B17 H17 150.1 . . ?
B22 B17 H17 105.7 . . ?
Ti3 B17 H17 130.5 . . ?
B13' B18 B19 70.0(5) . . ?
B13 B18 B19 97.5(4) . . ?
B13' B18 B21 56.5(4) . . ?
B13 B18 B21 53.2(3) . . ?
B19 B18 B21 117.4(4) . . ?
B13' B18 Ti3 70.4(4) . . ?
B13 B18 Ti3 63.3(3) . . ?
B19 B18 Ti3 66.0(2) . . ?
B21 B18 Ti3 116.4(3) . . ?
B13 B18 H18 150.7 . . ?
B19 B18 H18 111.8 . . ?
B21 B18 H18 108.4 . . ?
Ti3 B18 H18 129.9 . . ?
B20 B19 B18 120.4(5) . . ?
B20 B19 B13' 71.8(5) . . ?
B18 B19 B13' 51.7(4) . . ?
B20 B19 Ti3 73.0(3) . . ?
B18 B19 Ti3 69.8(3) . . ?
B13' B19 Ti3 67.5(4) . . ?
B20 B19 H19 114.7 . . ?
B18 B19 H19 123.8 . . ?
B13' B19 H19 151.9 . . ?
Ti3 B19 H19 140.3 . . ?
B19 B20 B14 101.3(5) . . ?
B19 B20 B23' 80.7(6) . . ?
B19 B20 B23 122.3(5) . . ?
B14 B20 B23 56.7(4) . . ?
B23' B20 B23 42.9(5) . . ?
B19 B20 B13' 61.1(4) . . ?
B23' B20 B13' 51.5(5) . . ?
B23 B20 B13' 72.0(4) . . ?
B19 B20 Ti3 66.7(3) . . ?
B14 B20 Ti3 62.9(3) . . ?
B23' B20 Ti3 114.8(5) . . ?
B23 B20 Ti3 119.5(3) . . ?
B13' B20 Ti3 63.3(4) . . ?
B19 B20 H20 108.6 . . ?
B14 B20 H20 150.1 . . ?
B23 B20 H20 104.5 . . ?
Ti3 B20 H20 130.6 . . ?
B13 B21 B22 64.1(4) . . ?
B13' B21 B22 92.3(5) . . ?
B13 B21 B18 56.1(3) . . ?
B13' B21 B18 52.4(4) . . ?
B22 B21 B18 111.6(4) . . ?
B13 B21 Ti4 71.6(3) . . ?
B13' B21 Ti4 64.5(4) . . ?
B22 B21 Ti4 66.3(2) . . ?
B18 B21 Ti4 116.9(3) . . ?
B13 B21 H21 163.9 . . ?
B22 B21 H21 127.7 . . ?
B18 B21 H21 107.9 . . ?
Ti4 B21 H21 121.7 . . ?
B22' B22 B21 126.6(6) . . ?
B21 B22 B13 53.5(3) . . ?
B22' B22 B17 63.6(6) . . ?
B21 B22 B17 97.2(4) . . ?
B13 B22 B17 51.8(3) . . ?
B22' B22 Ti4 73.6(5) . . ?
B21 B22 Ti4 68.2(2) . . ?
B13 B22 Ti4 69.7(3) . . ?
B17 B22 Ti4 111.1(3) . . ?
B21 B22 H22 134.5 . . ?
B13 B22 H22 167.2 . . ?
B17 B22 H22 115.6 . . ?
Ti4 B22 H22 121.1 . . ?
B23' B23 B24 126.7(7) . . ?
B24 B23 B14 54.1(3) . . ?
B23' B23 B20 61.2(6) . . ?
B24 B23 B20 97.5(4) . . ?
B14 B23 B20 51.1(4) . . ?
B23' B23 Ti4 74.6(5) . . ?
B24 B23 Ti4 68.0(2) . . ?
B14 B23 Ti4 69.0(3) . . ?
B20 B23 Ti4 109.6(4) . . ?
B24 B23 H23 133.9 . . ?
B14 B23 H23 167.1 . . ?
B20 B23 H23 116.1 . . ?
Ti4 B23 H23 122.0 . . ?
B14 B24 B23 63.7(4) . . ?
B14' B24 B23 93.0(5) . . ?
B14 B24 B15 56.6(3) . . ?
B14' B24 B15 52.3(4) . . ?
B23 B24 B15 111.5(4) . . ?
B14 B24 Ti4 70.9(3) . . ?
B14' B24 Ti4 64.4(4) . . ?
B23 B24 Ti4 66.7(2) . . ?
B15 B24 Ti4 116.6(3) . . ?
B14 B24 H24 164.4 . . ?
B23 B24 H24 127.7 . . ?
B15 B24 H24 107.8 . . ?
Ti4 B24 H24 121.9 . . ?
B13 Ti3 B14 46.6(3) . . ?
B13 Ti3 B19 70.2(3) . . ?
B14 Ti3 B19 69.1(3) . . ?
B19 Ti3 C22' 113.6(4) . . ?
B13 Ti3 C24 126.9(4) . . ?
B14 Ti3 C24 172.9(4) . . ?
B19 Ti3 C24 112.6(4) . . ?
B13 Ti3 B16 69.3(3) . . ?
B14 Ti3 B16 70.4(3) . . ?
B19 Ti3 B16 135.8(3) . . ?
C22' Ti3 B16 105.8(4) . . ?
C24 Ti3 B16 105.6(4) . . ?
B19 Ti3 C21' 83.5(4) . . ?
C22' Ti3 C21' 36.0(4) . . ?
B16 Ti3 C21' 140.0(4) . . ?
B13 Ti3 C25 136.3(3) . . ?
B14 Ti3 C25 151.0(4) . . ?
B19 Ti3 C25 84.9(3) . . ?
C24 Ti3 C25 34.3(4) . . ?
B16 Ti3 C25 138.0(3) . . ?
B13 Ti3 C21 161.2(3) . . ?
B14 Ti3 C21 129.5(3) . . ?
B19 Ti3 C21 91.1(3) . . ?
C24 Ti3 C21 57.6(4) . . ?
B16 Ti3 C21 129.0(3) . . ?
C25 Ti3 C21 34.9(3) . . ?
B13 Ti3 C23 138.5(4) . . ?
B14 Ti3 C23 146.5(5) . . ?
B19 Ti3 C23 141.9(5) . . ?
C24 Ti3 C23 34.5(4) . . ?
B16 Ti3 C23 82.0(5) . . ?
C25 Ti3 C23 57.1(5) . . ?
C21 Ti3 C23 57.3(4) . . ?
B13 Ti3 B15 77.3(2) . . ?
B14 Ti3 B15 44.0(2) . . ?
B19 Ti3 B15 109.3(2) . . ?
C22' Ti3 B15 97.6(4) . . ?
C24 Ti3 B15 136.8(3) . . ?
B16 Ti3 B15 44.3(2) . . ?
C21' Ti3 B15 127.8(4) . . ?
C25 Ti3 B15 146.2(3) . . ?
C21 Ti3 B15 112.2(3) . . ?
C23 Ti3 B15 102.7(4) . . ?
B13 Ti3 B18 43.4(2) . . ?
B14 Ti3 B18 76.7(2) . . ?
B19 Ti3 B18 44.2(2) . . ?
C22' Ti3 B18 142.0(4) . . ?
C24 Ti3 B18 99.7(3) . . ?
B16 Ti3 B18 109.0(2) . . ?
C21' Ti3 B18 106.3(4) . . ?
C25 Ti3 B18 93.9(3) . . ?
C21 Ti3 B18 120.7(3) . . ?
C23 Ti3 B18 131.9(4) . . ?
B15 Ti3 B18 117.88(18) . . ?
B14' Ti4 B13' 46.7(4) . . ?
B14' Ti4 B22 65.3(3) . . ?
B13' Ti4 B22 67.5(3) . . ?
B14' Ti4 C32' 138.4(5) . . ?
B13' Ti4 C32' 152.4(5) . . ?
B22 Ti4 C32' 139.3(4) . . ?
B14' Ti4 B23 67.6(3) . . ?
B13' Ti4 B23 65.3(3) . . ?
B22 Ti4 B23 128.4(2) . . ?
C32' Ti4 B23 91.0(5) . . ?
B22 Ti4 C35 90.3(3) . . ?
B23 Ti4 C35 138.1(3) . . ?
B22 Ti4 C34 92.8(4) . . ?
B23 Ti4 C34 135.6(4) . . ?
C35 Ti4 C34 35.4(3) . . ?
B14' Ti4 C33' 163.4(6) . . ?
B13' Ti4 C33' 129.5(8) . . ?
B22 Ti4 C33' 130.7(5) . . ?
C32' Ti4 C33' 34.8(5) . . ?
B23 Ti4 C33' 96.0(6) . . ?
B14' Ti4 C31' 127.3(4) . . ?
B13' Ti4 C31' 172.3(5) . . ?
B22 Ti4 C31' 106.1(4) . . ?
C32' Ti4 C31' 34.7(4) . . ?
B23 Ti4 C31' 118.8(4) . . ?
C33' Ti4 C31' 57.7(8) . . ?
B22 Ti4 C33 124.7(4) . . ?
B23 Ti4 C33 100.8(4) . . ?
C35 Ti4 C33 58.3(6) . . ?
C34 Ti4 C33 34.9(4) . . ?
B14' Ti4 B24 43.3(3) . . ?
B13' Ti4 B24 77.4(3) . . ?
B22 Ti4 B24 104.9(2) . . ?
C32' Ti4 B24 96.2(5) . . ?
B23 Ti4 B24 45.3(2) . . ?
C35 Ti4 B24 117.4(3) . . ?
C34 Ti4 B24 148.6(3) . . ?
C33' Ti4 B24 123.2(4) . . ?
C31' Ti4 B24 100.8(4) . . ?
C33 Ti4 B24 129.4(4) . . ?
B14' Ti4 B21 77.9(3) . . ?
B13' Ti4 B21 43.6(3) . . ?
B22 Ti4 B21 45.5(2) . . ?
C32' Ti4 B21 143.6(5) . . ?
B23 Ti4 B21 104.9(2) . . ?
C35 Ti4 B21 115.1(3) . . ?
C34 Ti4 B21 92.5(3) . . ?
C33' Ti4 B21 109.9(5) . . ?
C31' Ti4 B21 135.0(4) . . ?
C33 Ti4 B21 104.7(4) . . ?
B24 Ti4 B21 118.39(17) . . ?
C42 C41 C45 106.0(8) . . ?
C42 C41 C46 120.5(9) . . ?
C45 C41 C46 133.0(9) . . ?
C42 C41 Ti5 74.3(5) . . ?
C45 C41 Ti5 71.5(7) . . ?
C46 C41 Ti5 125.6(7) . . ?
C43 C42 C41 111.0(8) . . ?
C43 C42 C47 119.7(9) . . ?
C41 C42 C47 128.9(9) . . ?
C43 C42 Ti5 71.5(5) . . ?
C41 C42 Ti5 71.7(5) . . ?
C47 C42 Ti5 129.8(5) . . ?
C42 C43 C44 106.4(8) . . ?
C42 C43 C48 133.0(10) . . ?
C44 C43 C48 120.2(10) . . ?
C42 C43 Ti5 75.2(5) . . ?
C44 C43 Ti5 70.9(6) . . ?
C48 C43 Ti5 123.6(7) . . ?
C43 C44 C45 109.2(8) . . ?
C43 C44 C49 133.2(11) . . ?
C45 C44 C49 116.9(11) . . ?
C43 C44 Ti5 74.4(6) . . ?
C45 C44 Ti5 73.7(6) . . ?
C49 C44 Ti5 125.6(7) . . ?
C44 C45 C41 107.3(8) . . ?
C44 C45 C50 135.9(11) . . ?
C41 C45 C50 116.7(11) . . ?
C44 C45 Ti5 71.4(6) . . ?
C41 C45 Ti5 73.8(6) . . ?
C50 C45 Ti5 123.1(8) . . ?
C41 C46 H46A 109.5 . . ?
C41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C42 C47 H47A 109.5 . . ?
C42 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C42 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C43 C48 H48A 109.5 . . ?
C43 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C43 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C44 C49 H49A 109.5 . . ?
C44 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C44 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C45 C50 H50A 109.5 . . ?
C45 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C45 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C55 C51 C52 106.6(8) . . ?
C55 C51 C56 134.6(10) . . ?
C52 C51 C56 118.5(11) . . ?
C55 C51 Ti6 71.4(6) . . ?
C52 C51 Ti6 74.5(5) . . ?
C56 C51 Ti6 123.9(8) . . ?
C53 C52 C51 108.1(8) . . ?
C53 C52 C57 120.9(8) . . ?
C51 C52 C57 130.9(9) . . ?
C53 C52 Ti6 72.1(4) . . ?
C51 C52 Ti6 70.7(5) . . ?
C57 C52 Ti6 126.4(5) . . ?
C54 C53 C52 108.2(7) . . ?
C54 C53 C58 122.4(9) . . ?
C52 C53 C58 129.0(8) . . ?
C54 C53 Ti6 71.7(6) . . ?
C52 C53 Ti6 73.4(4) . . ?
C58 C53 Ti6 126.3(5) . . ?
C53 C54 C55 107.7(8) . . ?
C53 C54 C59 130.4(11) . . ?
C55 C54 C59 121.6(10) . . ?
C53 C54 Ti6 74.2(5) . . ?
C55 C54 Ti6 71.3(6) . . ?
C59 C54 Ti6 123.6(7) . . ?
C51 C55 C54 109.3(7) . . ?
C51 C55 C60 118.2(11) . . ?
C54 C55 C60 132.3(12) . . ?
C51 C55 Ti6 73.6(6) . . ?
C54 C55 Ti6 73.6(6) . . ?
C60 C55 Ti6 123.5(7) . . ?
C51 C56 H56A 109.5 . . ?
C51 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C51 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C52 C57 H57A 109.5 . . ?
C52 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C52 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C53 C58 H58A 109.5 . . ?
C53 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C53 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C54 C59 H59A 109.5 . . ?
C54 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C54 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
B33 B25 B29 70.5(4) . . ?
B33 B25 B30 123.8(5) . . ?
B29 B25 B30 111.3(5) . . ?
B33 B25 B34 64.9(4) . . ?
B29 B25 B34 124.0(5) . . ?
B30 B25 B34 71.1(4) . . ?
B33 B25 B26 123.3(5) . . ?
B29 B25 B26 109.8(5) . . ?
B30 B25 B26 109.1(5) . . ?
B34 B25 B26 122.3(5) . . ?
B33 B25 Ti5 143.7(5) . . ?
B29 B25 Ti5 73.4(3) . . ?
B30 B25 Ti5 73.6(3) . . ?
B34 B25 Ti5 144.4(4) . . ?
B26 B25 Ti5 66.4(3) . . ?
B33 B25 Ti6 67.5(3) . . ?
B29 B25 Ti6 123.9(4) . . ?
B30 B25 Ti6 122.5(4) . . ?
B34 B25 Ti6 65.9(3) . . ?
B26 B25 Ti6 67.9(3) . . ?
Ti5 B25 Ti6 134.3(3) . . ?
B35 B26 B27 123.8(5) . . ?
B35 B26 B32 70.2(4) . . ?
B27 B26 B32 111.4(5) . . ?
B35 B26 B36 64.7(4) . . ?
B27 B26 B36 71.6(4) . . ?
B32 B26 B36 123.9(5) . . ?
B35 B26 B25 123.6(5) . . ?
B27 B26 B25 109.0(5) . . ?
B32 B26 B25 109.4(5) . . ?
B36 B26 B25 122.6(5) . . ?
B35 B26 Ti5 142.9(5) . . ?
B27 B26 Ti5 73.8(3) . . ?
B32 B26 Ti5 73.0(3) . . ?
B36 B26 Ti5 145.2(5) . . ?
B25 B26 Ti5 66.3(3) . . ?
B35 B26 Ti6 67.5(3) . . ?
B27 B26 Ti6 122.8(4) . . ?
B32 B26 Ti6 123.4(4) . . ?
B36 B26 Ti6 65.8(3) . . ?
B25 B26 Ti6 68.3(3) . . ?
Ti5 B26 Ti6 134.6(3) . . ?
C45' C41' C42' 109.2(12) . . ?
C45' C41' C46' 140.4(17) . . ?
C42' C41' C46' 110.0(16) . . ?
C45' C41' Ti5 73.9(12) . . ?
C42' C41' Ti5 71.8(11) . . ?
C46' C41' Ti5 125.0(14) . . ?
C43' C42' C41' 107.5(12) . . ?
C43' C42' C47' 111.3(15) . . ?
C41' C42' C47' 140.4(16) . . ?
C43' C42' Ti5 76.4(9) . . ?
C41' C42' Ti5 72.6(10) . . ?
C47' C42' Ti5 123.9(13) . . ?
C44' C43' C42' 105.9(11) . . ?
C44' C43' C48' 115.6(14) . . ?
C42' C43' C48' 138.4(14) . . ?
C44' C43' Ti5 73.6(7) . . ?
C42' C43' Ti5 68.9(9) . . ?
C48' C43' Ti5 123.6(10) . . ?
C45' C44' C43' 110.9(13) . . ?
C45' C44' C49' 114.5(14) . . ?
C43' C44' C49' 133.8(14) . . ?
C45' C44' Ti5 70.4(10) . . ?
C43' C44' Ti5 72.6(8) . . ?
C49' C44' Ti5 131.2(9) . . ?
C41' C45' C44' 106.3(13) . . ?
C41' C45' C50' 114.1(15) . . ?
C44' C45' C50' 138.6(17) . . ?
C41' C45' Ti5 71.6(12) . . ?
C44' C45' Ti5 75.8(10) . . ?
C50' C45' Ti5 125.0(14) . . ?
C41' C46' H46D 109.5 . . ?
C41' C46' H46E 109.5 . . ?
H46D C46' H46E 109.5 . . ?
C41' C46' H46F 109.5 . . ?
H46D C46' H46F 109.5 . . ?
H46E C46' H46F 109.5 . . ?
C42' C47' H47D 109.5 . . ?
C42' C47' H47E 109.5 . . ?
H47D C47' H47E 109.5 . . ?
C42' C47' H47F 109.5 . . ?
H47D C47' H47F 109.5 . . ?
H47E C47' H47F 109.5 . . ?
C43' C48' H48D 109.5 . . ?
C43' C48' H48E 109.5 . . ?
H48D C48' H48E 109.5 . . ?
C43' C48' H48F 109.5 . . ?
H48D C48' H48F 109.5 . . ?
H48E C48' H48F 109.5 . . ?
C44' C49' H49D 109.5 . . ?
C44' C49' H49E 109.5 . . ?
H49D C49' H49E 109.5 . . ?
C44' C49' H49F 109.5 . . ?
H49D C49' H49F 109.5 . . ?
H49E C49' H49F 109.5 . . ?
C45' C50' H50D 109.5 . . ?
C45' C50' H50E 109.5 . . ?
H50D C50' H50E 109.5 . . ?
C45' C50' H50F 109.5 . . ?
H50D C50' H50F 109.5 . . ?
H50E C50' H50F 109.5 . . ?
C52' C51' C55' 110.6(13) . . ?
C52' C51' C56' 119.6(17) . . ?
C55' C51' C56' 129.1(16) . . ?
C52' C51' Ti6 72.7(10) . . ?
C55' C51' Ti6 77.6(9) . . ?
C56' C51' Ti6 123.9(15) . . ?
C51' C52' C53' 107.8(12) . . ?
C51' C52' C57' 134.3(18) . . ?
C53' C52' C57' 117.8(17) . . ?
C51' C52' Ti6 72.3(10) . . ?
C53' C52' Ti6 73.9(10) . . ?
C57' C52' Ti6 122.9(11) . . ?
C52' C53' C54' 106.9(12) . . ?
C52' C53' C58' 135.0(17) . . ?
C54' C53' C58' 117.7(17) . . ?
C52' C53' Ti6 70.8(10) . . ?
C54' C53' Ti6 76.1(9) . . ?
C58' C53' Ti6 124.3(13) . . ?
C55' C54' C53' 109.2(13) . . ?
C55' C54' C59' 118.6(14) . . ?
C53' C54' C59' 132.1(14) . . ?
C55' C54' Ti6 72.8(8) . . ?
C53' C54' Ti6 69.3(9) . . ?
C59' C54' Ti6 127.5(9) . . ?
C51' C55' C54' 105.5(12) . . ?
C51' C55' C60' 123.0(14) . . ?
C54' C55' C60' 131.1(15) . . ?
C51' C55' Ti6 67.8(10) . . ?
C54' C55' Ti6 73.4(8) . . ?
C60' C55' Ti6 128.7(10) . . ?
C51' C56' H56D 109.5 . . ?
C51' C56' H56E 109.5 . . ?
H56D C56' H56E 109.5 . . ?
C51' C56' H56F 109.5 . . ?
H56D C56' H56F 109.5 . . ?
H56E C56' H56F 109.5 . . ?
C52' C57' H57D 109.5 . . ?
C52' C57' H57E 109.5 . . ?
H57D C57' H57E 109.5 . . ?
C52' C57' H57F 109.5 . . ?
H57D C57' H57F 109.5 . . ?
H57E C57' H57F 109.5 . . ?
C53' C58' H58D 109.5 . . ?
C53' C58' H58E 109.5 . . ?
H58D C58' H58E 109.5 . . ?
C53' C58' H58F 109.5 . . ?
H58D C58' H58F 109.5 . . ?
H58E C58' H58F 109.5 . . ?
C54' C59' H59D 109.5 . . ?
C54' C59' H59E 109.5 . . ?
H59D C59' H59E 109.5 . . ?
C54' C59' H59F 109.5 . . ?
H59D C59' H59F 109.5 . . ?
H59E C59' H59F 109.5 . . ?
C55' C60' H60D 109.5 . . ?
C55' C60' H60E 109.5 . . ?
H60D C60' H60E 109.5 . . ?
C55' C60' H60F 109.5 . . ?
H60D C60' H60F 109.5 . . ?
H60E C60' H60F 109.5 . . ?
B32 B25' B26' 129.8(13) . . ?
B32 B25' B35 72.0(7) . . ?
B26' B25' B35 113.1(11) . . ?
B32 B25' B34' 120.0(12) . . ?
B26' B25' B34' 106.7(12) . . ?
B35 B25' B34' 106.1(11) . . ?
B32 B25' B31 57.8(6) . . ?
B26' B25' B31 124.1(10) . . ?
B35 B25' B31 119.6(9) . . ?
B34' B25' B31 76.1(9) . . ?
B32 B25' B30 103.8(8) . . ?
B26' B25' B30 85.7(9) . . ?
B35 B25' B30 159.1(11) . . ?
B34' B25' B30 57.4(8) . . ?
B31 B25' B30 47.9(5) . . ?
B32 B25' Ti6 142.4(9) . . ?
B26' B25' Ti6 67.0(7) . . ?
B35 B25' Ti6 70.4(6) . . ?
B34' B25' Ti6 72.1(8) . . ?
B31 B25' Ti6 148.3(9) . . ?
B30 B25' Ti6 111.5(7) . . ?
B32 B25' Ti5 71.6(6) . . ?
B26' B25' Ti5 68.7(8) . . ?
B35 B25' Ti5 129.6(9) . . ?
B34' B25' Ti5 121.9(10) . . ?
B31 B25' Ti5 64.2(5) . . ?
B30 B25' Ti5 64.6(5) . . ?
Ti6 B25' Ti5 135.6(8) . . ?
B29 B26' B25' 130.2(12) . . ?
B29 B26' B33 70.8(7) . . ?
B25' B26' B33 114.9(12) . . ?
B29 B26' B36' 117.7(12) . . ?
B25' B26' B36' 109.1(12) . . ?
B33 B26' B36' 103.4(10) . . ?
B29 B26' B28 57.0(6) . . ?
B25' B26' B28 124.1(10) . . ?
B33 B26' B28 117.5(9) . . ?
B36' B26' B28 76.3(9) . . ?
B29 B26' B27 102.8(8) . . ?
B25' B26' B27 86.4(9) . . ?
B33 B26' B27 157.0(11) . . ?
B36' B26' B27 59.0(7) . . ?
B28 B26' B27 47.5(5) . . ?
B29 B26' Ti6 141.7(9) . . ?
B25' B26' Ti6 68.5(7) . . ?
B33 B26' Ti6 70.9(6) . . ?
B36' B26' Ti6 71.6(8) . . ?
B28 B26' Ti6 147.8(9) . . ?
B27 B26' Ti6 112.3(7) . . ?
B29 B26' Ti5 71.4(6) . . ?
B25' B26' Ti5 68.9(7) . . ?
B33 B26' Ti5 129.3(9) . . ?
B36' B26' Ti5 123.7(10) . . ?
B28 B26' Ti5 63.8(5) . . ?
B27 B26' Ti5 64.8(5) . . ?
Ti6 B26' Ti5 137.4(8) . . ?
B34 B34' B25' 98.6(12) . . ?
B34 B34' B30 73.6(8) . . ?
B25' B34' B30 71.1(8) . . ?
B34 B34' Ti6 69.8(7) . . ?
B25' B34' Ti6 63.8(7) . . ?
B30 B34' Ti6 114.8(8) . . ?
B34 B34' H34' 128.5 . . ?
B25' B34' H34' 132.9 . . ?
B30 B34' H34' 120.0 . . ?
Ti6 B34' H34' 125.1 . . ?
B36 B36' B26' 96.1(11) . . ?
B36 B36' B27 71.7(8) . . ?
B26' B36' B27 69.1(8) . . ?
B36 B36' Ti6 70.1(7) . . ?
B26' B36' Ti6 63.4(7) . . ?
B27 B36' Ti6 113.4(8) . . ?
B36 B36' H36' 129.6 . . ?
B26' B36' H36' 134.3 . . ?
B27 B36' H36' 121.6 . . ?
Ti6 B36' H36' 124.9 . . ?
B28 B27 B26 103.2(5) . . ?
B28 B27 B36' 80.9(6) . . ?
B28 B27 B36 122.5(5) . . ?
B26 B27 B36 55.6(3) . . ?
B36' B27 B36 42.7(6) . . ?
B28 B27 B26' 63.0(5) . . ?
B36' B27 B26' 51.8(7) . . ?
B36 B27 B26' 71.1(5) . . ?
B28 B27 Ti5 67.0(3) . . ?
B26 B27 Ti5 63.6(3) . . ?
B36' B27 Ti5 114.4(5) . . ?
B36 B27 Ti5 119.1(3) . . ?
B26' B27 Ti5 62.6(5) . . ?
B28 B27 H27 107.5 . . ?
B26 B27 H27 149.2 . . ?
B36 B27 H27 105.2 . . ?
Ti5 B27 H27 130.6 . . ?
B27 B28 B29 117.7(5) . . ?
B27 B28 B26' 69.5(6) . . ?
B29 B28 B26' 50.3(5) . . ?
B27 B28 Ti5 71.9(3) . . ?
B29 B28 Ti5 70.2(3) . . ?
B26' B28 Ti5 65.5(5) . . ?
B27 B28 H28 116.5 . . ?
B29 B28 H28 124.4 . . ?
B26' B28 H28 153.8 . . ?
Ti5 B28 H28 140.4 . . ?
B26' B29 B28 72.8(7) . . ?
B25 B29 B28 100.2(4) . . ?
B26' B29 B33 57.6(6) . . ?
B25 B29 B33 53.7(3) . . ?
B28 B29 B33 119.6(4) . . ?
B26' B29 Ti5 68.9(6) . . ?
B25 B29 Ti5 63.6(3) . . ?
B28 B29 Ti5 66.0(3) . . ?
B33 B29 Ti5 117.2(3) . . ?
B25 B29 H29 149.8 . . ?
B28 B29 H29 110.0 . . ?
B33 B29 H29 107.3 . . ?
Ti5 B29 H29 130.4 . . ?
B31 B30 B25 102.7(5) . . ?
B31 B30 B34' 80.6(6) . . ?
B31 B30 B34 121.8(5) . . ?
B25 B30 B34 55.5(3) . . ?
B34' B30 B34 42.5(6) . . ?
B31 B30 B25' 61.4(5) . . ?
B34' B30 B25' 51.6(7) . . ?
B34 B30 B25' 71.5(5) . . ?
B31 B30 Ti5 66.9(3) . . ?
B25 B30 Ti5 63.3(3) . . ?
B34' B30 Ti5 114.1(6) . . ?
B34 B30 Ti5 118.7(3) . . ?
B25' B30 Ti5 62.5(5) . . ?
B31 B30 H30 108.0 . . ?
B25 B30 H30 149.3 . . ?
B34 B30 H30 105.6 . . ?
Ti5 B30 H30 130.7 . . ?
B30 B31 B32 117.8(5) . . ?
B30 B31 B25' 70.7(6) . . ?
B32 B31 B25' 49.4(5) . . ?
B30 B31 Ti5 71.8(3) . . ?
B32 B31 Ti5 70.1(3) . . ?
B25' B31 Ti5 66.0(5) . . ?
B30 B31 H31 116.1 . . ?
B32 B31 H31 124.8 . . ?
B25' B31 H31 153.3 . . ?
Ti5 B31 H31 140.4 . . ?
B25' B32 B31 72.8(7) . . ?
B26 B32 B31 101.0(4) . . ?
B25' B32 B35 57.7(6) . . ?
B26 B32 B35 53.7(3) . . ?
B31 B32 B35 120.2(5) . . ?
B25' B32 Ti5 69.8(6) . . ?
B26 B32 Ti5 63.8(3) . . ?
B31 B32 Ti5 66.4(3) . . ?
B35 B32 Ti5 117.4(3) . . ?
B26 B32 H32 149.6 . . ?
B31 B32 H32 109.3 . . ?
B35 B32 H32 107.1 . . ?
Ti5 B32 H32 130.3 . . ?
B25 B33 B34 60.0(4) . . ?
B26' B33 B34 87.5(6) . . ?
B25 B33 B29 55.8(3) . . ?
B26' B33 B29 51.6(6) . . ?
B34 B33 B29 107.8(4) . . ?
B25 B33 Ti6 71.6(3) . . ?
B26' B33 Ti6 64.5(5) . . ?
B34 B33 Ti6 66.5(2) . . ?
B29 B33 Ti6 116.1(3) . . ?
B25 B33 H33 165.0 . . ?
B34 B33 H33 130.3 . . ?
B29 B33 H33 109.4 . . ?
Ti6 B33 H33 121.2 . . ?
B26 B35 B36 60.1(4) . . ?
B25' B35 B36 89.2(7) . . ?
B26 B35 B32 56.1(3) . . ?
B25' B35 B32 50.4(6) . . ?
B36 B35 B32 108.4(4) . . ?
B26 B35 Ti6 71.5(3) . . ?
B25' B35 Ti6 65.7(5) . . ?
B36 B35 Ti6 66.4(2) . . ?
B32 B35 Ti6 116.1(3) . . ?
B26 B35 H35 165.0 . . ?
B36 B35 H35 130.1 . . ?
B32 B35 H35 109.0 . . ?
Ti6 B35 H35 121.4 . . ?
B34' B34 B33 129.7(8) . . ?
B25 B34 B33 55.1(3) . . ?
B34' B34 B30 64.0(8) . . ?
B25 B34 B30 53.4(3) . . ?
B33 B34 B30 101.1(4) . . ?
B34' B34 Ti6 75.3(7) . . ?
B25 B34 Ti6 70.6(3) . . ?
B33 B34 Ti6 67.3(2) . . ?
B30 B34 Ti6 112.8(3) . . ?
B25 B34 H34 166.5 . . ?
B33 B34 H34 133.4 . . ?
B30 B34 H34 113.3 . . ?
Ti6 B34 H34 121.2 . . ?
B36' B36 B35 129.6(8) . . ?
B26 B36 B35 55.2(3) . . ?
B36' B36 B27 65.6(7) . . ?
B26 B36 B27 52.8(3) . . ?
B35 B36 B27 100.4(4) . . ?
B36' B36 Ti6 74.2(7) . . ?
B26 B36 Ti6 70.7(3) . . ?
B35 B36 Ti6 67.4(3) . . ?
B27 B36 Ti6 112.5(3) . . ?
B26 B36 H36 166.4 . . ?
B35 B36 H36 133.5 . . ?
B27 B36 H36 113.8 . . ?
Ti6 B36 H36 121.1 . . ?
B25 Ti5 B26 47.3(2) . . ?
B25 Ti5 B28 71.3(3) . . ?
B26 Ti5 B28 70.2(3) . . ?
C42' Ti5 B28 129.6(5) . . ?
B25 Ti5 C44 156.9(3) . . ?
B26 Ti5 C44 134.8(3) . . ?
B28 Ti5 C44 87.8(3) . . ?
B25 Ti5 B31 70.6(3) . . ?
B26 Ti5 B31 71.4(3) . . ?
C42' Ti5 B31 89.8(4) . . ?
B28 Ti5 B31 138.1(3) . . ?
C44 Ti5 B31 132.2(3) . . ?
C42' Ti5 C41' 35.6(4) . . ?
B28 Ti5 C41' 129.6(5) . . ?
B31 Ti5 C41' 90.0(5) . . ?
B25 Ti5 C45 132.0(3) . . ?
B26 Ti5 C45 159.2(3) . . ?
B28 Ti5 C45 89.7(3) . . ?
C44 Ti5 C45 34.9(3) . . ?
B31 Ti5 C45 129.4(3) . . ?
C42' Ti5 B26' 170.3(6) . . ?
B28 Ti5 B26' 50.7(4) . . ?
B31 Ti5 B26' 88.0(4) . . ?
C41' Ti5 B26' 153.7(6) . . ?
C42' Ti5 C45' 58.7(6) . . ?
B28 Ti5 C45' 95.7(5) . . ?
B31 Ti5 C45' 120.4(4) . . ?
C41' Ti5 C45' 34.5(4) . . ?
B26' Ti5 C45' 130.1(6) . . ?
C42' Ti5 B25' 131.4(6) . . ?
B28 Ti5 B25' 88.9(4) . . ?
B31 Ti5 B25' 49.8(4) . . ?
C41' Ti5 B25' 139.4(6) . . ?
B26' Ti5 B25' 42.4(6) . . ?
C45' Ti5 B25' 158.8(5) . . ?
B25 Ti5 C43 168.3(3) . . ?
B26 Ti5 C43 126.7(3) . . ?
B28 Ti5 C43 117.9(3) . . ?
C44 Ti5 C43 34.7(3) . . ?
B31 Ti5 C43 98.3(3) . . ?
C45 Ti5 C43 57.9(3) . . ?
B26' Ti6 B25' 44.5(6) . . ?
B26' Ti6 C51' 132.1(7) . . ?
B25' Ti6 C51' 163.4(6) . . ?
B26' Ti6 C52' 155.1(7) . . ?
B25' Ti6 C52' 138.3(6) . . ?
C51' Ti6 C52' 35.0(4) . . ?
B26' Ti6 B36 63.5(5) . . ?
B25' Ti6 B36 65.9(5) . . ?
C51' Ti6 B36 97.8(4) . . ?
C52' Ti6 B36 94.2(5) . . ?
C55 Ti6 B36 140.9(3) . . ?
B26' Ti6 C53' 168.9(7) . . ?
B25' Ti6 C53' 127.3(6) . . ?
C51' Ti6 C53' 58.2(6) . . ?
C52' Ti6 C53' 35.3(4) . . ?
B36 Ti6 C53' 122.9(5) . . ?
B26' Ti6 B34 65.5(5) . . ?
B25' Ti6 B34 63.5(5) . . ?
C51' Ti6 B34 132.6(5) . . ?
C52' Ti6 B34 139.1(5) . . ?
C55 Ti6 B34 92.2(3) . . ?
B36 Ti6 B34 124.8(2) . . ?
C53' Ti6 B34 104.8(6) . . ?
B26' Ti6 B35 77.2(4) . . ?
B25' Ti6 B35 43.9(4) . . ?
C51' Ti6 B35 122.8(5) . . ?
C52' Ti6 B35 95.5(4) . . ?
C55 Ti6 B35 145.1(3) . . ?
B36 Ti6 B35 46.2(2) . . ?
C53' Ti6 B35 100.7(4) . . ?
B34 Ti6 B35 103.0(2) . . ?
B26' Ti6 B33 44.5(4) . . ?
B25' Ti6 B33 78.1(4) . . ?
C51' Ti6 B33 109.9(5) . . ?
C52' Ti6 B33 143.5(4) . . ?
C55 Ti6 B33 93.6(3) . . ?
B36 Ti6 B33 103.1(2) . . ?
C53' Ti6 B33 132.9(5) . . ?
B34 Ti6 B33 46.2(2) . . ?
B35 Ti6 B33 119.67(19) . . ?
C55 Ti6 C51 35.0(3) . . ?
B36 Ti6 C51 106.6(4) . . ?
B34 Ti6 C51 121.2(3) . . ?
B35 Ti6 C51 134.6(3) . . ?
B33 Ti6 C51 99.7(3) . . ?
C55 Ti6 C54 35.2(3) . . ?
B36 Ti6 C54 135.3(3) . . ?
B34 Ti6 C54 95.0(3) . . ?
B35 Ti6 C54 111.2(3) . . ?
B33 Ti6 C54 120.2(3) . . ?
C51 Ti6 C54 58.5(4) . . ?
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
C1 C2 1.398(12) . ?
C1 C5 1.403(14) . ?
C1 C6 1.507(13) . ?
C1 Ti1 2.378(16) . ?
C2 C3 1.410(12) . ?
C2 C7 1.534(12) . ?
C2 Ti1 2.390(10) . ?
C3 C4 1.433(13) . ?
C3 C8 1.527(12) . ?
C3 Ti1 2.345(11) . ?
C4 C5 1.417(13) . ?
C4 C9 1.490(13) . ?
C4 Ti1 2.326(11) . ?
C5 C10 1.525(13) . ?
C5 Ti1 2.327(16) . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C15 1.389(14) . ?
C11 C12 1.427(13) . ?
C11 C16 1.504(13) . ?
C11 Ti2 2.358(13) . ?
C12 C13 1.408(12) . ?
C12 C17 1.480(12) . ?
C12 Ti2 2.333(11) . ?
C13 C14 1.401(11) . ?
C13 C18 1.473(12) . ?
C13 Ti2 2.391(9) . ?
C14 C15 1.412(12) . ?
C14 C19 1.524(12) . ?
C14 Ti2 2.396(10) . ?
C15 C20 1.511(13) . ?
C15 Ti2 2.368(16) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
B1 B8 1.643(14) . ?
B1 B10 1.690(14) . ?
B1 B5 1.730(15) . ?
B1 B9 1.793(13) . ?
B1 B2 1.829(15) . ?
B1 Ti2 2.220(11) . ?
B1 Ti1 2.413(12) . ?
B5 B4 1.628(14) . ?
B5 B12 1.677(14) . ?
B5 B11 1.789(13) . ?
B5 B6 1.809(15) . ?
B5 Ti2 2.223(11) . ?
B5 Ti1 2.414(12) . ?
C1' C5' 1.392(14) . ?
C1' C2' 1.412(13) . ?
C1' C6' 1.504(13) . ?
C1' Ti1 2.324(15) . ?
C2' C3' 1.400(13) . ?
C2' C7' 1.488(12) . ?
C2' Ti1 2.323(10) . ?
C3' C4' 1.399(10) . ?
C3' C8' 1.524(11) . ?
C3' Ti1 2.361(10) . ?
C4' C5' 1.402(11) . ?
C4' C9' 1.525(11) . ?
C4' Ti1 2.399(9) . ?
C5' C10' 1.510(13) . ?
C5' Ti1 2.390(16) . ?
C6' H6D 0.9600 . ?
C6' H6E 0.9600 . ?
C6' H6F 0.9600 . ?
C7' H7D 0.9600 . ?
C7' H7E 0.9600 . ?
C7' H7F 0.9600 . ?
C8' H8D 0.9600 . ?
C8' H8E 0.9600 . ?
C8' H8F 0.9600 . ?
C9' H9D 0.9600 . ?
C9' H9E 0.9600 . ?
C9' H9F 0.9600 . ?
C10' H10D 0.9600 . ?
C10' H10E 0.9600 . ?
C10' H10F 0.9600 . ?
C11' C15' 1.406(11) . ?
C11' C12' 1.433(11) . ?
C11' C16' 1.512(12) . ?
C11' Ti2 2.384(10) . ?
C12' C13' 1.397(13) . ?
C12' C17' 1.486(12) . ?
C12' Ti2 2.373(10) . ?
C13' C14' 1.411(13) . ?
C13' C18' 1.491(12) . ?
C13' Ti2 2.322(12) . ?
C14' C15' 1.410(13) . ?
C14' C19' 1.490(13) . ?
C14' Ti2 2.378(15) . ?
C15' C20' 1.511(13) . ?
C15' Ti2 2.430(11) . ?
C16' H16D 0.9600 . ?
C16' H16E 0.9600 . ?
C16' H16F 0.9600 . ?
C17' H17D 0.9600 . ?
C17' H17E 0.9600 . ?
C17' H17F 0.9600 . ?
C18' H18D 0.9600 . ?
C18' H18E 0.9600 . ?
C18' H18F 0.9600 . ?
C19' H19D 0.9600 . ?
C19' H19E 0.9600 . ?
C19' H19F 0.9600 . ?
C20' H20D 0.9600 . ?
C20' H20E 0.9600 . ?
C20' H20F 0.9600 . ?
B1' B5' 1.68(2) . ?
B1' B2 1.701(16) . ?
B1' B10 1.746(16) . ?
B1' B11' 1.751(19) . ?
B1' B3 1.835(16) . ?
B1' B4 2.089(17) . ?
B1' Ti1 2.290(14) . ?
B1' Ti2 2.329(14) . ?
B5' B6 1.704(16) . ?
B5' B12 1.725(16) . ?
B5' B9' 1.738(18) . ?
B5' B7 1.880(17) . ?
B5' Ti1 2.271(14) . ?
B5' Ti2 2.340(14) . ?
B9' B9 1.661(13) . ?
B9' B8 2.113(15) . ?
B9' Ti1 2.329(11) . ?
B9' H9' 1.1000 . ?
B11' B11 1.693(14) . ?
B11' B4 2.053(15) . ?
B11' Ti1 2.393(12) . ?
B11' H11' 1.1000 . ?
B2 B3 1.753(11) . ?
B2 B10 2.008(10) . ?
B2 Ti2 2.361(6) . ?
B2 H2 1.1000 . ?
B3 B4 1.676(11) . ?
B3 Ti2 2.332(7) . ?
B3 H3 1.1000 . ?
B4 B11 2.024(11) . ?
B4 Ti2 2.416(9) . ?
B4 H4 1.1000 . ?
B6 B7 1.758(11) . ?
B6 B12 2.017(10) . ?
B6 Ti2 2.350(6) . ?
B6 H6 1.1000 . ?
B7 B8 1.758(11) . ?
B7 Ti2 2.330(7) . ?
B7 H7 1.1000 . ?
B8 B9 2.020(11) . ?
B8 Ti2 2.446(8) . ?
B8 H8 1.1000 . ?
B9 B10 1.786(10) . ?
B9 Ti1 2.337(5) . ?
B9 H9 1.1000 . ?
B11 B12 1.776(10) . ?
B11 Ti1 2.323(6) . ?
B11 H11 1.1000 . ?
B10 Ti1 2.376(7) . ?
B10 H10 1.1000 . ?
B12 Ti1 2.378(7) . ?
B12 H12 1.1000 . ?
C21 C22 1.410(10) . ?
C21 C25 1.414(11) . ?
C21 C26 1.483(12) . ?
C21 Ti3 2.357(9) . ?
C22 C23 1.406(13) . ?
C22 C27 1.498(12) . ?
C22 Ti3 2.390(12) . ?
C23 C24 1.393(13) . ?
C23 C28 1.503(13) . ?
C23 Ti3 2.374(19) . ?
C24 C25 1.377(13) . ?
C24 C29 1.515(13) . ?
C24 Ti3 2.326(19) . ?
C25 C30 1.497(12) . ?
C25 Ti3 2.351(11) . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 C32 1.410(11) . ?
C31 C35 1.420(11) . ?
C31 C36 1.514(11) . ?
C31 Ti4 2.391(9) . ?
C32 C33 1.424(13) . ?
C32 C37 1.500(12) . ?
C32 Ti4 2.381(14) . ?
C33 C34 1.409(13) . ?
C33 C38 1.508(13) . ?
C33 Ti4 2.36(3) . ?
C34 C35 1.426(12) . ?
C34 C39 1.499(12) . ?
C34 Ti4 2.345(14) . ?
C35 C40 1.482(11) . ?
C35 Ti4 2.345(9) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
B13 B21 1.651(9) . ?
B13 B18 1.711(9) . ?
B13 B17 1.736(10) . ?
B13 B14 1.765(11) . ?
B13 B22 1.846(10) . ?
B13 Ti3 2.226(8) . ?
B13 Ti4 2.424(7) . ?
B14 B24 1.662(9) . ?
B14 B20 1.714(10) . ?
B14 B15 1.737(9) . ?
B14 B23 1.840(10) . ?
B14 Ti3 2.238(8) . ?
B14 Ti4 2.407(8) . ?
C21' C25' 1.392(12) . ?
C21' C22' 1.442(14) . ?
C21' C26' 1.486(14) . ?
C21' Ti3 2.343(13) . ?
C22' C23' 1.388(16) . ?
C22' C27' 1.515(15) . ?
C22' Ti3 2.325(19) . ?
C23' C24' 1.420(15) . ?
C23' C28' 1.519(15) . ?
C23' Ti3 2.42(3) . ?
C24' C25' 1.396(13) . ?
C24' C29' 1.540(15) . ?
C24' Ti3 2.41(2) . ?
C25' C30' 1.511(14) . ?
C25' Ti3 2.395(14) . ?
C26' H26D 0.9600 . ?
C26' H26E 0.9600 . ?
C26' H26F 0.9600 . ?
C27' H27D 0.9600 . ?
C27' H27E 0.9600 . ?
C27' H27F 0.9600 . ?
C28' H28D 0.9600 . ?
C28' H28E 0.9600 . ?
C28' H28F 0.9600 . ?
C29' H29D 0.9600 . ?
C29' H29E 0.9600 . ?
C29' H29F 0.9600 . ?
C30' H30D 0.9600 . ?
C30' H30E 0.9600 . ?
C30' H30F 0.9600 . ?
C31' C32' 1.400(15) . ?
C31' C35' 1.432(13) . ?
C31' C36' 1.510(15) . ?
C31' Ti4 2.348(13) . ?
C32' C33' 1.401(16) . ?
C32' C37' 1.500(16) . ?
C32' Ti4 2.34(2) . ?
C33' C34' 1.395(16) . ?
C33' C38' 1.497(16) . ?
C33' Ti4 2.35(4) . ?
C34' C35' 1.404(13) . ?
C34' C39' 1.492(15) . ?
C34' Ti4 2.421(19) . ?
C35' C40' 1.513(14) . ?
C35' Ti4 2.433(12) . ?
C36' H36D 0.9600 . ?
C36' H36E 0.9600 . ?
C36' H36F 0.9600 . ?
C37' H37D 0.9600 . ?
C37' H37E 0.9600 . ?
C37' H37F 0.9600 . ?
C38' H38D 0.9600 . ?
C38' H38E 0.9600 . ?
C38' H38F 0.9600 . ?
C39' H39D 0.9600 . ?
C39' H39E 0.9600 . ?
C39' H39F 0.9600 . ?
C40' H40D 0.9600 . ?
C40' H40E 0.9600 . ?
C40' H40F 0.9600 . ?
B13' B18 1.632(12) . ?
B13' B21 1.717(12) . ?
B13' B23' 1.755(17) . ?
B13' B14' 1.781(16) . ?
B13' B19 1.955(12) . ?
B13' B20 2.121(13) . ?
B13' Ti4 2.249(11) . ?
B13' Ti3 2.398(11) . ?
B14' B15 1.630(12) . ?
B14' B24 1.704(12) . ?
B14' B22' 1.733(16) . ?
B14' B16 1.954(13) . ?
B14' Ti4 2.240(11) . ?
B14' Ti3 2.420(11) . ?
B22' B22 1.477(14) . ?
B22' B17 1.954(14) . ?
B22' Ti4 2.385(12) . ?
B22' H22' 1.1000 . ?
B23' B23 1.472(15) . ?
B23' B20 1.893(14) . ?
B23' Ti4 2.415(12) . ?
B23' H23' 1.1000 . ?
B15 B16 1.780(9) . ?
B15 B24 1.958(8) . ?
B15 Ti3 2.386(5) . ?
B15 H15 1.1000 . ?
B16 B17 1.657(10) . ?
B16 Ti3 2.335(6) . ?
B16 H16 1.1000 . ?
B17 B22 2.095(10) . ?
B17 Ti3 2.424(7) . ?
B17 H17 1.1000 . ?
B18 B19 1.772(8) . ?
B18 B21 1.947(7) . ?
B18 Ti3 2.387(5) . ?
B18 H18 1.1000 . ?
B19 B20 1.635(10) . ?
B19 Ti3 2.324(6) . ?
B19 H19 1.1000 . ?
B20 B23 2.096(10) . ?
B20 Ti3 2.419(7) . ?
B20 H20 1.1000 . ?
B21 B22 1.818(8) . ?
B21 Ti4 2.369(5) . ?
B21 H21 1.1000 . ?
B22 Ti4 2.336(6) . ?
B22 H22 1.1000 . ?
B23 B24 1.814(8) . ?
B23 Ti4 2.345(6) . ?
B23 H23 1.1000 . ?
B24 Ti4 2.367(5) . ?
B24 H24 1.1000 . ?
C41 C42 1.409(9) . ?
C41 C45 1.419(12) . ?
C41 C46 1.506(10) . ?
C41 Ti5 2.392(10) . ?
C42 C43 1.375(9) . ?
C42 C47 1.538(10) . ?
C42 Ti5 2.425(7) . ?
C43 C44 1.406(12) . ?
C43 C48 1.489(11) . ?
C43 Ti5 2.378(9) . ?
C44 C45 1.410(12) . ?
C44 C49 1.502(11) . ?
C44 Ti5 2.333(10) . ?
C45 C50 1.538(11) . ?
C45 Ti5 2.362(12) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 C55 1.406(13) . ?
C51 C52 1.423(10) . ?
C51 C56 1.511(11) . ?
C51 Ti6 2.353(11) . ?
C52 C53 1.421(8) . ?
C52 C57 1.520(9) . ?
C52 Ti6 2.404(7) . ?
C53 C54 1.393(10) . ?
C53 C58 1.504(9) . ?
C53 Ti6 2.386(7) . ?
C54 C55 1.414(12) . ?
C54 C59 1.493(11) . ?
C54 Ti6 2.355(11) . ?
C55 C60 1.494(11) . ?
C55 Ti6 2.325(8) . ?
C56 H56A 0.9600 . ?
C56 H56B 0.9600 . ?
C56 H56C 0.9600 . ?
C57 H57A 0.9600 . ?
C57 H57B 0.9600 . ?
C57 H57C 0.9600 . ?
C58 H58A 0.9600 . ?
C58 H58B 0.9600 . ?
C58 H58C 0.9600 . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
B25 B33 1.668(9) . ?
B25 B29 1.711(9) . ?
B25 B30 1.717(9) . ?
B25 B34 1.762(9) . ?
B25 B26 1.801(9) . ?
B25 Ti5 2.245(7) . ?
B25 Ti6 2.415(7) . ?
B26 B35 1.665(8) . ?
B26 B27 1.698(10) . ?
B26 B32 1.715(9) . ?
B26 B36 1.759(9) . ?
B26 Ti5 2.248(6) . ?
B26 Ti6 2.409(6) . ?
C41' C45' 1.395(16) . ?
C41' C42' 1.427(16) . ?
C41' C46' 1.479(16) . ?
C41' Ti5 2.336(19) . ?
C42' C43' 1.418(15) . ?
C42' C47' 1.542(16) . ?
C42' Ti5 2.325(18) . ?
C43' C44' 1.410(13) . ?
C43' C48' 1.512(15) . ?
C43' Ti5 2.422(14) . ?
C44' C45' 1.396(13) . ?
C44' C49' 1.522(14) . ?
C44' Ti5 2.435(11) . ?
C45' C50' 1.471(15) . ?
C45' Ti5 2.37(2) . ?
C46' H46D 0.9600 . ?
C46' H46E 0.9600 . ?
C46' H46F 0.9600 . ?
C47' H47D 0.9600 . ?
C47' H47E 0.9600 . ?
C47' H47F 0.9600 . ?
C48' H48D 0.9600 . ?
C48' H48E 0.9600 . ?
C48' H48F 0.9600 . ?
C49' H49D 0.9600 . ?
C49' H49E 0.9600 . ?
C49' H49F 0.9600 . ?
C50' H50D 0.9600 . ?
C50' H50E 0.9600 . ?
C50' H50F 0.9600 . ?
C51' C52' 1.379(16) . ?
C51' C55' 1.401(15) . ?
C51' C56' 1.480(16) . ?
C51' Ti6 2.288(19) . ?
C52' C53' 1.402(16) . ?
C52' C57' 1.484(16) . ?
C52' Ti6 2.293(15) . ?
C53' C54' 1.415(15) . ?
C53' C58' 1.513(16) . ?
C53' Ti6 2.33(2) . ?
C54' C55' 1.407(12) . ?
C54' C59' 1.522(14) . ?
C54' Ti6 2.421(12) . ?
C55' C60' 1.496(15) . ?
C55' Ti6 2.414(13) . ?
C56' H56D 0.9600 . ?
C56' H56E 0.9600 . ?
C56' H56F 0.9600 . ?
C57' H57D 0.9600 . ?
C57' H57E 0.9600 . ?
C57' H57F 0.9600 . ?
C58' H58D 0.9600 . ?
C58' H58E 0.9600 . ?
C58' H58F 0.9600 . ?
C59' H59D 0.9600 . ?
C59' H59E 0.9600 . ?
C59' H59F 0.9600 . ?
C60' H60D 0.9600 . ?
C60' H60E 0.9600 . ?
C60' H60F 0.9600 . ?
B25' B32 1.574(17) . ?
B25' B26' 1.71(2) . ?
B25' B35 1.726(16) . ?
B25' B34' 1.76(2) . ?
B25' B31 1.980(17) . ?
B25' B30 2.129(17) . ?
B25' Ti6 2.271(15) . ?
B25' Ti5 2.368(16) . ?
B26' B29 1.619(16) . ?
B26' B33 1.745(17) . ?
B26' B36' 1.78(2) . ?
B26' B28 2.011(18) . ?
B26' B27 2.114(18) . ?
B26' Ti6 2.246(16) . ?
B26' Ti5 2.364(16) . ?
B34' B34 1.425(18) . ?
B34' B30 1.896(19) . ?
B34' Ti6 2.409(17) . ?
B34' H34' 1.1000 . ?
B36' B36 1.446(18) . ?
B36' B27 1.940(18) . ?
B36' Ti6 2.383(17) . ?
B36' H36' 1.1000 . ?
B27 B28 1.663(10) . ?
B27 B36 2.023(9) . ?
B27 Ti5 2.409(7) . ?
B27 H27 1.1000 . ?
B28 B29 1.765(9) . ?
B28 Ti5 2.333(6) . ?
B28 H28 1.1000 . ?
B29 B33 1.951(7) . ?
B29 Ti5 2.402(5) . ?
B29 H29 1.1000 . ?
B30 B31 1.672(10) . ?
B30 B34 2.023(9) . ?
B30 Ti5 2.410(7) . ?
B30 H30 1.1000 . ?
B31 B32 1.753(10) . ?
B31 Ti5 2.333(6) . ?
B31 H31 1.1000 . ?
B32 B35 1.943(8) . ?
B32 Ti5 2.395(6) . ?
B32 H32 1.1000 . ?
B33 B34 1.842(9) . ?
B33 Ti6 2.351(5) . ?
B33 H33 1.1000 . ?
B35 B36 1.835(9) . ?
B35 Ti6 2.347(5) . ?
B35 H35 1.1000 . ?
B34 Ti6 2.338(6) . ?
B34 H34 1.1000 . ?
B36 Ti6 2.328(5) . ?
B36 H36 1.1000 . ?
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
C5 C1 C2 C3 1.6(18) . . . . ?
C6 C1 C2 C3 176.6(14) . . . . ?
Ti1 C1 C2 C3 -61.3(9) . . . . ?
C5 C1 C2 C7 -172.4(14) . . . . ?
C6 C1 C2 C7 2(2) . . . . ?
Ti1 C1 C2 C7 124.6(13) . . . . ?
C5 C1 C2 Ti1 62.9(13) . . . . ?
C6 C1 C2 Ti1 -122.1(16) . . . . ?
C1 C2 C3 C4 -2.5(15) . . . . ?
C7 C2 C3 C4 172.2(10) . . . . ?
Ti1 C2 C3 C4 -64.8(8) . . . . ?
C1 C2 C3 C8 -170.6(14) . . . . ?
C7 C2 C3 C8 4(2) . . . . ?
Ti1 C2 C3 C8 127.2(14) . . . . ?
C1 C2 C3 Ti1 62.3(10) . . . . ?
C7 C2 C3 Ti1 -123.0(10) . . . . ?
C2 C3 C4 C5 2.5(15) . . . . ?
C8 C3 C4 C5 171.7(12) . . . . ?
Ti1 C3 C4 C5 -64.4(10) . . . . ?
C2 C3 C4 C9 -172.1(12) . . . . ?
C8 C3 C4 C9 -3(2) . . . . ?
Ti1 C3 C4 C9 121.0(13) . . . . ?
C2 C3 C4 Ti1 66.9(8) . . . . ?
C8 C3 C4 Ti1 -123.9(11) . . . . ?
C2 C1 C5 C4 0(2) . . . . ?
C6 C1 C5 C4 -174.4(16) . . . . ?
Ti1 C1 C5 C4 64.7(11) . . . . ?
C2 C1 C5 C10 173.4(14) . . . . ?
C6 C1 C5 C10 -1(3) . . . . ?
Ti1 C1 C5 C10 -121.9(16) . . . . ?
C2 C1 C5 Ti1 -64.8(11) . . . . ?
C6 C1 C5 Ti1 120.9(19) . . . . ?
C3 C4 C5 C1 -1.5(19) . . . . ?
C9 C4 C5 C1 173.5(14) . . . . ?
Ti1 C4 C5 C1 -66.3(13) . . . . ?
C3 C4 C5 C10 -174.3(15) . . . . ?
C9 C4 C5 C10 1(2) . . . . ?
Ti1 C4 C5 C10 120.9(18) . . . . ?
C3 C4 C5 Ti1 64.8(9) . . . . ?
C9 C4 C5 Ti1 -120.2(12) . . . . ?
C15 C11 C12 C13 1.6(16) . . . . ?
C16 C11 C12 C13 -172.3(13) . . . . ?
Ti2 C11 C12 C13 66.9(8) . . . . ?
C15 C11 C12 C17 175.5(13) . . . . ?
C16 C11 C12 C17 2(2) . . . . ?
Ti2 C11 C12 C17 -119.2(12) . . . . ?
C15 C11 C12 Ti2 -65.3(11) . . . . ?
C16 C11 C12 Ti2 120.8(15) . . . . ?
C11 C12 C13 C14 -1.0(14) . . . . ?
C17 C12 C13 C14 -174.3(12) . . . . ?
Ti2 C12 C13 C14 64.8(8) . . . . ?
C11 C12 C13 C18 169.7(11) . . . . ?
C17 C12 C13 C18 -4(2) . . . . ?
Ti2 C12 C13 C18 -124.5(11) . . . . ?
C11 C12 C13 Ti2 -65.8(9) . . . . ?
C17 C12 C13 Ti2 120.9(13) . . . . ?
C12 C13 C14 C15 0.0(14) . . . . ?
C18 C13 C14 C15 -170.3(13) . . . . ?
Ti2 C13 C14 C15 63.0(10) . . . . ?
C12 C13 C14 C19 177.3(10) . . . . ?
C18 C13 C14 C19 7.0(19) . . . . ?
Ti2 C13 C14 C19 -119.7(11) . . . . ?
C12 C13 C14 Ti2 -63.0(8) . . . . ?
C18 C13 C14 Ti2 126.7(12) . . . . ?
C12 C11 C15 C14 -1.6(17) . . . . ?
C16 C11 C15 C14 172.7(14) . . . . ?
Ti2 C11 C15 C14 -65.5(11) . . . . ?
C12 C11 C15 C20 -171.5(15) . . . . ?
C16 C11 C15 C20 3(3) . . . . ?
Ti2 C11 C15 C20 124.6(18) . . . . ?
C12 C11 C15 Ti2 64.0(9) . . . . ?
C16 C11 C15 Ti2 -121.8(14) . . . . ?
C13 C14 C15 C11 1.0(17) . . . . ?
C19 C14 C15 C11 -176.2(12) . . . . ?
Ti2 C14 C15 C11 64.7(11) . . . . ?
C13 C14 C15 C20 171.6(14) . . . . ?
C19 C14 C15 C20 -6(2) . . . . ?
Ti2 C14 C15 C20 -124.8(16) . . . . ?
C13 C14 C15 Ti2 -63.7(9) . . . . ?
C19 C14 C15 Ti2 119.1(12) . . . . ?
B8 B1 B5 B4 120.2(11) . . . . ?
B10 B1 B5 B4 -74.9(12) . . . . ?
B9 B1 B5 B4 -151.9(9) . . . . ?
B2 B1 B5 B4 2.5(12) . . . . ?
Ti2 B1 B5 B4 60.6(8) . . . . ?
Ti1 B1 B5 B4 -119.0(9) . . . . ?
B8 B1 B5 B12 -77.0(13) . . . . ?
B10 B1 B5 B12 87.9(14) . . . . ?
B9 B1 B5 B12 10.9(17) . . . . ?
B2 B1 B5 B12 165.3(8) . . . . ?
Ti2 B1 B5 B12 -136.6(10) . . . . ?
Ti1 B1 B5 B12 43.8(9) . . . . ?
B8 B1 B5 B11 -153.7(9) . . . . ?
B10 B1 B5 B11 11.1(16) . . . . ?
B9 B1 B5 B11 -65.8(15) . . . . ?
B2 B1 B5 B11 88.5(10) . . . . ?
Ti2 B1 B5 B11 146.6(10) . . . . ?
Ti1 B1 B5 B11 -32.9(9) . . . . ?
B8 B1 B5 B6 1.8(12) . . . . ?
B10 B1 B5 B6 166.7(8) . . . . ?
B9 B1 B5 B6 89.7(11) . . . . ?
B2 B1 B5 B6 -115.9(8) . . . . ?
Ti2 B1 B5 B6 -57.8(6) . . . . ?
Ti1 B1 B5 B6 122.6(7) . . . . ?
B8 B1 B5 Ti2 59.6(8) . . . . ?
B10 B1 B5 Ti2 -135.5(10) . . . . ?
B9 B1 B5 Ti2 147.5(10) . . . . ?
B2 B1 B5 Ti2 -58.1(6) . . . . ?
Ti1 B1 B5 Ti2 -179.6(5) . . . . ?
B8 B1 B5 Ti1 -120.8(9) . . . . ?
B10 B1 B5 Ti1 44.1(8) . . . . ?
B9 B1 B5 Ti1 -32.9(9) . . . . ?
B2 B1 B5 Ti1 121.5(7) . . . . ?
Ti2 B1 B5 Ti1 179.6(5) . . . . ?
C5' C1' C2' C3' 1.2(17) . . . . ?
C6' C1' C2' C3' 172.4(13) . . . . ?
Ti1 C1' C2' C3' -66.3(8) . . . . ?
C5' C1' C2' C7' -171.5(13) . . . . ?
C6' C1' C2' C7' 0(2) . . . . ?
Ti1 C1' C2' C7' 121.0(12) . . . . ?
C5' C1' C2' Ti1 67.5(13) . . . . ?
C6' C1' C2' Ti1 -121.4(15) . . . . ?
C1' C2' C3' C4' -0.7(14) . . . . ?
C7' C2' C3' C4' 172.2(10) . . . . ?
Ti1 C2' C3' C4' -65.8(8) . . . . ?
C1' C2' C3' C8' -175.9(11) . . . . ?
C7' C2' C3' C8' -3.0(18) . . . . ?
Ti1 C2' C3' C8' 119.0(11) . . . . ?
C1' C2' C3' Ti1 65.1(9) . . . . ?
C7' C2' C3' Ti1 -122.0(11) . . . . ?
C2' C3' C4' C5' 0.0(14) . . . . ?
C8' C3' C4' C5' 175.3(12) . . . . ?
Ti1 C3' C4' C5' -63.7(10) . . . . ?
C2' C3' C4' C9' -173.0(9) . . . . ?
C8' C3' C4' C9' 2.3(17) . . . . ?
Ti1 C3' C4' C9' 123.3(10) . . . . ?
C2' C3' C4' Ti1 63.7(7) . . . . ?
C8' C3' C4' Ti1 -121.0(11) . . . . ?
C2' C1' C5' C4' -1.2(19) . . . . ?
C6' C1' C5' C4' -172.3(14) . . . . ?
Ti1 C1' C5' C4' 64.1(11) . . . . ?
C2' C1' C5' C10' 173.4(15) . . . . ?
C6' C1' C5' C10' 2(3) . . . . ?
Ti1 C1' C5' C10' -121.2(18) . . . . ?
C2' C1' C5' Ti1 -65.4(10) . . . . ?
C6' C1' C5' Ti1 123.6(17) . . . . ?
C3' C4' C5' C1' 0.8(17) . . . . ?
C9' C4' C5' C1' 173.7(13) . . . . ?
Ti1 C4' C5' C1' -62.1(12) . . . . ?
C3' C4' C5' C10' -174.0(14) . . . . ?
C9' C4' C5' C10' -1(2) . . . . ?
Ti1 C4' C5' C10' 123.1(17) . . . . ?
C3' C4' C5' Ti1 62.9(8) . . . . ?
C9' C4' C5' Ti1 -124.2(11) . . . . ?
C15' C11' C12' C13' -3.3(13) . . . . ?
C16' C11' C12' C13' -174.1(10) . . . . ?
Ti2 C11' C12' C13' 63.1(8) . . . . ?
C15' C11' C12' C17' 170.6(11) . . . . ?
C16' C11' C12' C17' -0.2(19) . . . . ?
Ti2 C11' C12' C17' -123.0(12) . . . . ?
C15' C11' C12' Ti2 -66.4(8) . . . . ?
C16' C11' C12' Ti2 122.8(11) . . . . ?
C11' C12' C13' C14' 2.8(15) . . . . ?
C17' C12' C13' C14' -171.1(12) . . . . ?
Ti2 C12' C13' C14' 67.4(10) . . . . ?
C11' C12' C13' C18' 170.8(12) . . . . ?
C17' C12' C13' C18' -3(2) . . . . ?
Ti2 C12' C13' C18' -124.6(13) . . . . ?
C11' C12' C13' Ti2 -64.6(8) . . . . ?
C17' C12' C13' Ti2 121.5(12) . . . . ?
C12' C13' C14' C15' -1.4(17) . . . . ?
C18' C13' C14' C15' -170.0(13) . . . . ?
Ti2 C13' C14' C15' 66.0(11) . . . . ?
C12' C13' C14' C19' 173.9(15) . . . . ?
C18' C13' C14' C19' 5(3) . . . . ?
Ti2 C13' C14' C19' -118.7(18) . . . . ?
C12' C13' C14' Ti2 -67.4(9) . . . . ?
C18' C13' C14' Ti2 124.0(13) . . . . ?
C12' C11' C15' C14' 2.5(14) . . . . ?
C16' C11' C15' C14' 173.0(12) . . . . ?
Ti2 C11' C15' C14' -62.1(10) . . . . ?
C12' C11' C15' C20' -172.3(11) . . . . ?
C16' C11' C15' C20' -1.8(19) . . . . ?
Ti2 C11' C15' C20' 123.1(12) . . . . ?
C12' C11' C15' Ti2 64.6(8) . . . . ?
C16' C11' C15' Ti2 -124.9(11) . . . . ?
C13' C14' C15' C11' -0.7(16) . . . . ?
C19' C14' C15' C11' -176.4(14) . . . . ?
Ti2 C14' C15' C11' 62.3(9) . . . . ?
C13' C14' C15' C20' 173.7(13) . . . . ?
C19' C14' C15' C20' -2(3) . . . . ?
Ti2 C14' C15' C20' -123.3(14) . . . . ?
C13' C14' C15' Ti2 -63.0(11) . . . . ?
C19' C14' C15' Ti2 121.3(16) . . . . ?
B2 B1' B5' B6 78.2(19) . . . . ?
B10 B1' B5' B6 162.3(10) . . . . ?
B11' B1' B5' B6 -86.4(14) . . . . ?
B3 B1' B5' B6 1(2) . . . . ?
B4 B1' B5' B6 -28.0(13) . . . . ?
Ti1 B1' B5' B6 -142.4(13) . . . . ?
Ti2 B1' B5' B6 38.4(11) . . . . ?
B2 B1' B5' B12 164.0(10) . . . . ?
B10 B1' B5' B12 -111.9(12) . . . . ?
B11' B1' B5' B12 -0.6(15) . . . . ?
B3 B1' B5' B12 87.2(14) . . . . ?
B4 B1' B5' B12 57.8(10) . . . . ?
Ti1 B1' B5' B12 -56.6(8) . . . . ?
Ti2 B1' B5' B12 124.2(10) . . . . ?
B2 B1' B5' B9' -84.0(14) . . . . ?
B10 B1' B5' B9' 0.1(15) . . . . ?
B11' B1' B5' B9' 111.4(12) . . . . ?
B3 B1' B5' B9' -160.8(10) . . . . ?
B4 B1' B5' B9' 169.8(9) . . . . ?
Ti1 B1' B5' B9' 55.5(8) . . . . ?
Ti2 B1' B5' B9' -123.7(10) . . . . ?
B2 B1' B5' B7 4(2) . . . . ?
B10 B1' B5' B7 87.8(13) . . . . ?
B11' B1' B5' B7 -160.9(10) . . . . ?
B3 B1' B5' B7 -73.1(18) . . . . ?
B4 B1' B5' B7 -102.5(12) . . . . ?
Ti1 B1' B5' B7 143.1(12) . . . . ?
Ti2 B1' B5' B7 -36.0(10) . . . . ?
B2 B1' B5' Ti1 -139.4(13) . . . . ?
B10 B1' B5' Ti1 -55.3(8) . . . . ?
B11' B1' B5' Ti1 56.0(9) . . . . ?
B3 B1' B5' Ti1 143.8(12) . . . . ?
B4 B1' B5' Ti1 114.4(6) . . . . ?
Ti2 B1' B5' Ti1 -179.2(5) . . . . ?
B2 B1' B5' Ti2 39.7(11) . . . . ?
B10 B1' B5' Ti2 123.8(10) . . . . ?
B11' B1' B5' Ti2 -124.8(10) . . . . ?
B3 B1' B5' Ti2 -37.0(11) . . . . ?
B4 B1' B5' Ti2 -66.5(4) . . . . ?
Ti1 B1' B5' Ti2 179.2(5) . . . . ?
B1' B5' B9' B9 10.2(11) . . . . ?
B6 B5' B9' B9 -153.9(9) . . . . ?
B12 B5' B9' B9 131.9(7) . . . . ?
B7 B5' B9' B9 -112.1(6) . . . . ?
Ti1 B5' B9' B9 65.3(5) . . . . ?
Ti2 B5' B9' B9 -70.0(10) . . . . ?
B1' B5' B9' B8 69.5(10) . . . . ?
B6 B5' B9' B8 -94.6(9) . . . . ?
B12 B5' B9' B8 -168.8(8) . . . . ?
B7 B5' B9' B8 -52.7(5) . . . . ?
Ti1 B5' B9' B8 124.7(5) . . . . ?
Ti2 B5' B9' B8 -10.6(9) . . . . ?
B1' B5' B9' Ti1 -55.2(9) . . . . ?
B6 B5' B9' Ti1 140.7(10) . . . . ?
B12 B5' B9' Ti1 66.5(6) . . . . ?
B7 B5' B9' Ti1 -177.4(6) . . . . ?
Ti2 B5' B9' Ti1 -135.3(10) . . . . ?
B5' B1' B11' B11 9.3(12) . . . . ?
B2 B1' B11' B11 -157.1(9) . . . . ?
B10 B1' B11' B11 129.7(7) . . . . ?
B3 B1' B11' B11 -114.0(7) . . . . ?
B4 B1' B11' B11 -61.3(6) . . . . ?
Ti1 B1' B11' B11 63.5(5) . . . . ?
Ti2 B1' B11' B11 -72.6(11) . . . . ?
B5' B1' B11' B4 70.7(10) . . . . ?
B2 B1' B11' B4 -95.8(9) . . . . ?
B10 B1' B11' B4 -168.9(8) . . . . ?
B3 B1' B11' B4 -52.7(5) . . . . ?
Ti1 B1' B11' B4 124.8(6) . . . . ?
Ti2 B1' B11' B4 -11.2(9) . . . . ?
B5' B1' B11' Ti1 -54.2(9) . . . . ?
B2 B1' B11' Ti1 139.3(10) . . . . ?
B10 B1' B11' Ti1 66.2(6) . . . . ?
B3 B1' B11' Ti1 -177.5(7) . . . . ?
B4 B1' B11' Ti1 -124.8(6) . . . . ?
Ti2 B1' B11' Ti1 -136.1(10) . . . . ?
B5' B1' B2 B3 -114.1(14) . . . . ?
B10 B1' B2 B3 140.1(7) . . . . ?
B11' B1' B2 B3 50.1(9) . . . . ?
B4 B1' B2 B3 -18.4(6) . . . . ?
Ti1 B1' B2 B3 143.0(15) . . . . ?
Ti2 B1' B2 B3 -74.5(4) . . . . ?
B5' B1' B2 B10 105.7(15) . . . . ?
B11' B1' B2 B10 -90.1(10) . . . . ?
B3 B1' B2 B10 -140.1(7) . . . . ?
B4 B1' B2 B10 -158.5(10) . . . . ?
Ti1 B1' B2 B10 2.8(11) . . . . ?
Ti2 B1' B2 B10 145.3(6) . . . . ?
B5' B1' B2 Ti2 -39.6(12) . . . . ?
B10 B1' B2 Ti2 -145.3(6) . . . . ?
B11' B1' B2 Ti2 124.6(10) . . . . ?
B3 B1' B2 Ti2 74.5(4) . . . . ?
B4 B1' B2 Ti2 56.1(6) . . . . ?
Ti1 B1' B2 Ti2 -142.5(15) . . . . ?
B8 B1 B2 B3 -133.5(7) . . . . ?
B10 B1 B2 B3 112.1(6) . . . . ?
B5 B1 B2 B3 -6.6(8) . . . . ?
B9 B1 B2 B3 150.1(7) . . . . ?
Ti2 B1 B2 B3 -62.7(4) . . . . ?
Ti1 B1 B2 B3 70.9(7) . . . . ?
B8 B1 B2 B10 114.4(8) . . . . ?
B5 B1 B2 B10 -118.7(9) . . . . ?
B9 B1 B2 B10 38.0(6) . . . . ?
Ti2 B1 B2 B10 -174.7(6) . . . . ?
Ti1 B1 B2 B10 -41.2(6) . . . . ?
B8 B1 B2 Ti2 -70.8(6) . . . . ?
B10 B1 B2 Ti2 174.7(6) . . . . ?
B5 B1 B2 Ti2 56.1(7) . . . . ?
B9 B1 B2 Ti2 -147.2(8) . . . . ?
Ti1 B1 B2 Ti2 133.5(7) . . . . ?
B1' B2 B3 B4 27.3(8) . . . . ?
B1 B2 B3 B4 10.7(9) . . . . ?
B10 B2 B3 B4 61.2(8) . . . . ?
Ti2 B2 B3 B4 -48.0(6) . . . . ?
B10 B2 B3 B1' 33.9(6) . . . . ?
Ti2 B2 B3 B1' -75.3(6) . . . . ?
B1' B2 B3 Ti2 75.3(6) . . . . ?
B1 B2 B3 Ti2 58.7(4) . . . . ?
B10 B2 B3 Ti2 109.2(4) . . . . ?
B5' B1' B3 B4 -39.6(12) . . . . ?
B2 B1' B3 B4 -156.7(7) . . . . ?
B10 B1' B3 B4 160.2(11) . . . . ?
B11' B1' B3 B4 68.7(7) . . . . ?
Ti1 B1' B3 B4 64.5(14) . . . . ?
Ti2 B1' B3 B4 -77.4(4) . . . . ?
B5' B1' B3 B2 117.1(14) . . . . ?
B10 B1' B3 B2 -43.1(8) . . . . ?
B11' B1' B3 B2 -134.6(8) . . . . ?
B4 B1' B3 B2 156.7(7) . . . . ?
Ti1 B1' B3 B2 -138.7(16) . . . . ?
Ti2 B1' B3 B2 79.3(5) . . . . ?
B5' B1' B3 Ti2 37.8(11) . . . . ?
B2 B1' B3 Ti2 -79.3(5) . . . . ?
B10 B1' B3 Ti2 -122.5(10) . . . . ?
B11' B1' B3 Ti2 146.1(7) . . . . ?
B4 B1' B3 Ti2 77.4(4) . . . . ?
Ti1 B1' B3 Ti2 141.9(15) . . . . ?
B12 B5 B4 B3 -160.0(8) . . . . ?
B1 B5 B4 B3 3.4(10) . . . . ?
B11 B5 B4 B3 -118.9(6) . . . . ?
B6 B5 B4 B3 123.8(6) . . . . ?
Ti2 B5 B4 B3 59.1(5) . . . . ?
Ti1 B5 B4 B3 -77.4(8) . . . . ?
B12 B5 B4 B11 -41.1(7) . . . . ?
B1 B5 B4 B11 122.3(10) . . . . ?
B6 B5 B4 B11 -117.2(7) . . . . ?
Ti2 B5 B4 B11 178.0(6) . . . . ?
Ti1 B5 B4 B11 41.5(6) . . . . ?
B12 B5 B4 Ti2 140.9(10) . . . . ?
B1 B5 B4 Ti2 -55.7(7) . . . . ?
B11 B5 B4 Ti2 -178.0(6) . . . . ?
B6 B5 B4 Ti2 64.7(5) . . . . ?
Ti1 B5 B4 Ti2 -136.5(8) . . . . ?
B2 B3 B4 B5 -9.7(10) . . . . ?
Ti2 B3 B4 B5 -56.5(6) . . . . ?
B2 B3 B4 B11 -66.7(9) . . . . ?
B1' B3 B4 B11 -43.0(7) . . . . ?
Ti2 B3 B4 B11 -113.5(5) . . . . ?
B2 B3 B4 B11' -78.0(8) . . . . ?
B1' B3 B4 B11' -54.4(6) . . . . ?
Ti2 B3 B4 B11' -124.8(5) . . . . ?
B2 B3 B4 B1' -23.6(7) . . . . ?
Ti2 B3 B4 B1' -70.4(5) . . . . ?
B2 B3 B4 Ti2 46.8(6) . . . . ?
B1' B3 B4 Ti2 70.4(5) . . . . ?
B1' B5' B6 B7 -112.3(14) . . . . ?
B12 B5' B6 B7 139.7(7) . . . . ?
B9' B5' B6 B7 49.2(9) . . . . ?
Ti1 B5' B6 B7 141.6(16) . . . . ?
Ti2 B5' B6 B7 -74.0(4) . . . . ?
B1' B5' B6 B12 108.0(15) . . . . ?
B9' B5' B6 B12 -90.5(10) . . . . ?
B7 B5' B6 B12 -139.7(7) . . . . ?
Ti1 B5' B6 B12 1.8(11) . . . . ?
Ti2 B5' B6 B12 146.3(7) . . . . ?
B1' B5' B6 Ti2 -38.3(12) . . . . ?
B12 B5' B6 Ti2 -146.3(7) . . . . ?
B9' B5' B6 Ti2 123.2(10) . . . . ?
B7 B5' B6 Ti2 74.0(4) . . . . ?
Ti1 B5' B6 Ti2 -144.5(15) . . . . ?
B4 B5 B6 B7 -131.3(7) . . . . ?
B12 B5 B6 B7 112.3(6) . . . . ?
B1 B5 B6 B7 -7.0(8) . . . . ?
B11 B5 B6 B7 150.3(7) . . . . ?
Ti2 B5 B6 B7 -62.7(4) . . . . ?
Ti1 B5 B6 B7 70.5(7) . . . . ?
B4 B5 B6 B12 116.4(8) . . . . ?
B1 B5 B6 B12 -119.3(9) . . . . ?
B11 B5 B6 B12 38.0(6) . . . . ?
Ti2 B5 B6 B12 -175.0(6) . . . . ?
Ti1 B5 B6 B12 -41.8(6) . . . . ?
B4 B5 B6 Ti2 -68.6(6) . . . . ?
B12 B5 B6 Ti2 175.0(6) . . . . ?
B1 B5 B6 Ti2 55.7(7) . . . . ?
B11 B5 B6 Ti2 -147.0(8) . . . . ?
Ti1 B5 B6 Ti2 133.2(7) . . . . ?
B5' B6 B7 B8 28.4(8) . . . . ?
B5 B6 B7 B8 12.1(8) . . . . ?
B12 B6 B7 B8 62.2(8) . . . . ?
Ti2 B6 B7 B8 -47.1(6) . . . . ?
B12 B6 B7 B5' 33.8(6) . . . . ?
Ti2 B6 B7 B5' -75.5(6) . . . . ?
B5' B6 B7 Ti2 75.5(6) . . . . ?
B5 B6 B7 Ti2 59.2(4) . . . . ?
B12 B6 B7 Ti2 109.4(4) . . . . ?
B1' B5' B7 B6 116.1(14) . . . . ?
B12 B5' B7 B6 -43.8(8) . . . . ?
B9' B5' B7 B6 -136.0(8) . . . . ?
Ti1 B5' B7 B6 -140.2(15) . . . . ?
Ti2 B5' B7 B6 79.2(5) . . . . ?
B1' B5' B7 B8 -40.0(12) . . . . ?
B6 B5' B7 B8 -156.1(7) . . . . ?
B12 B5' B7 B8 160.1(10) . . . . ?
B9' B5' B7 B8 67.9(6) . . . . ?
Ti1 B5' B7 B8 63.7(13) . . . . ?
Ti2 B5' B7 B8 -76.8(4) . . . . ?
B1' B5' B7 Ti2 36.9(11) . . . . ?
B6 B5' B7 Ti2 -79.2(5) . . . . ?
B12 B5' B7 Ti2 -123.0(10) . . . . ?
B9' B5' B7 Ti2 144.7(7) . . . . ?
Ti1 B5' B7 Ti2 140.5(14) . . . . ?
B10 B1 B8 B7 -161.2(8) . . . . ?
B5 B1 B8 B7 4.5(10) . . . . ?
B9 B1 B8 B7 -118.2(6) . . . . ?
B2 B1 B8 B7 125.4(6) . . . . ?
Ti2 B1 B8 B7 59.2(5) . . . . ?
Ti1 B1 B8 B7 -79.3(8) . . . . ?
B10 B1 B8 B9 -43.0(7) . . . . ?
B5 B1 B8 B9 122.7(11) . . . . ?
B2 B1 B8 B9 -116.5(7) . . . . ?
Ti2 B1 B8 B9 177.4(6) . . . . ?
Ti1 B1 B8 B9 38.8(6) . . . . ?
B10 B1 B8 Ti2 139.6(10) . . . . ?
B5 B1 B8 Ti2 -54.7(8) . . . . ?
B9 B1 B8 Ti2 -177.4(6) . . . . ?
B2 B1 B8 Ti2 66.1(5) . . . . ?
Ti1 B1 B8 Ti2 -138.6(9) . . . . ?
B6 B7 B8 B1 -11.2(9) . . . . ?
Ti2 B7 B8 B1 -57.0(5) . . . . ?
B6 B7 B8 B9 -66.6(8) . . . . ?
B5' B7 B8 B9 -42.5(7) . . . . ?
Ti2 B7 B8 B9 -112.4(5) . . . . ?
B6 B7 B8 B9' -76.3(7) . . . . ?
B5' B7 B8 B9' -52.1(6) . . . . ?
Ti2 B7 B8 B9' -122.1(4) . . . . ?
B6 B7 B8 Ti2 45.8(6) . . . . ?
B5' B7 B8 Ti2 69.9(5) . . . . ?
B5' B9' B9 B10 -19.8(10) . . . . ?
B8 B9' B9 B10 -83.6(7) . . . . ?
Ti1 B9' B9 B10 42.6(6) . . . . ?
B5' B9' B9 B8 63.7(7) . . . . ?
Ti1 B9' B9 B8 126.2(4) . . . . ?
B5' B9' B9 Ti1 -62.5(6) . . . . ?
B8 B9' B9 Ti1 -126.2(4) . . . . ?
B8 B1 B9 B10 -136.4(7) . . . . ?
B5 B1 B9 B10 111.2(11) . . . . ?
B2 B1 B9 B10 -41.0(7) . . . . ?
Ti2 B1 B9 B10 -141.3(16) . . . . ?
Ti1 B1 B9 B10 77.4(4) . . . . ?
B10 B1 B9 B8 136.4(7) . . . . ?
B5 B1 B9 B8 -112.4(13) . . . . ?
B2 B1 B9 B8 95.4(8) . . . . ?
Ti2 B1 B9 B8 -4.9(11) . . . . ?
Ti1 B1 B9 B8 -146.2(6) . . . . ?
B8 B1 B9 Ti1 146.2(6) . . . . ?
B10 B1 B9 Ti1 -77.4(4) . . . . ?
B5 B1 B9 Ti1 33.9(9) . . . . ?
B2 B1 B9 Ti1 -118.3(8) . . . . ?
Ti2 B1 B9 Ti1 141.4(15) . . . . ?
B1' B11' B11 B12 -18.3(10) . . . . ?
B4 B11' B11 B12 -80.8(7) . . . . ?
Ti1 B11' B11 B12 43.7(7) . . . . ?
B1' B11' B11 B4 62.6(7) . . . . ?
Ti1 B11' B11 B4 124.5(4) . . . . ?
B1' B11' B11 Ti1 -61.9(6) . . . . ?
B4 B11' B11 Ti1 -124.5(4) . . . . ?
B4 B5 B11 B12 -139.4(7) . . . . ?
B1 B5 B11 B12 111.8(11) . . . . ?
B6 B5 B11 B12 -41.4(7) . . . . ?
Ti2 B5 B11 B12 -143.0(15) . . . . ?
Ti1 B5 B11 B12 77.8(4) . . . . ?
B12 B5 B11 B4 139.4(7) . . . . ?
B1 B5 B11 B4 -108.8(12) . . . . ?
B6 B5 B11 B4 98.0(9) . . . . ?
Ti2 B5 B11 B4 -3.6(11) . . . . ?
Ti1 B5 B11 B4 -142.8(6) . . . . ?
B4 B5 B11 Ti1 142.8(6) . . . . ?
B12 B5 B11 Ti1 -77.8(4) . . . . ?
B1 B5 B11 Ti1 34.0(9) . . . . ?
B6 B5 B11 Ti1 -119.2(8) . . . . ?
Ti2 B5 B11 Ti1 139.2(14) . . . . ?
B8 B1 B10 B9 47.5(8) . . . . ?
B5 B1 B10 B9 -117.6(11) . . . . ?
B2 B1 B10 B9 142.2(6) . . . . ?
Ti2 B1 B10 B9 149.9(11) . . . . ?
Ti1 B1 B10 B9 -73.2(3) . . . . ?
B8 B1 B10 B2 -94.7(9) . . . . ?
B5 B1 B10 B2 100.2(10) . . . . ?
B9 B1 B10 B2 -142.2(6) . . . . ?
Ti2 B1 B10 B2 7.7(8) . . . . ?
Ti1 B1 B10 B2 144.6(5) . . . . ?
B8 B1 B10 Ti1 120.7(9) . . . . ?
B5 B1 B10 Ti1 -44.4(9) . . . . ?
B9 B1 B10 Ti1 73.2(3) . . . . ?
B2 B1 B10 Ti1 -144.6(5) . . . . ?
Ti2 B1 B10 Ti1 -136.9(10) . . . . ?
B5' B1' B10 B9 -9.6(11) . . . . ?
B2 B1' B10 B9 114.8(6) . . . . ?
B11' B1' B10 B9 -130.0(7) . . . . ?
B3 B1' B10 B9 153.1(9) . . . . ?
B4 B1' B10 B9 -159(2) . . . . ?
Ti1 B1' B10 B9 -63.4(4) . . . . ?
Ti2 B1' B10 B9 72.0(9) . . . . ?
B5' B1' B10 B2 -124.3(12) . . . . ?
B11' B1' B10 B2 115.2(9) . . . . ?
B3 B1' B10 B2 38.4(7) . . . . ?
B4 B1' B10 B2 86(3) . . . . ?
Ti1 B1' B10 B2 -178.2(7) . . . . ?
Ti2 B1' B10 B2 -42.8(7) . . . . ?
B5' B1' B10 Ti1 53.8(9) . . . . ?
B2 B1' B10 Ti1 178.2(7) . . . . ?
B11' B1' B10 Ti1 -66.6(7) . . . . ?
B3 B1' B10 Ti1 -143.5(10) . . . . ?
B4 B1' B10 Ti1 -96(3) . . . . ?
Ti2 B1' B10 Ti1 135.4(10) . . . . ?
B8 B9 B10 B1 -32.5(6) . . . . ?
Ti1 B9 B10 B1 79.5(5) . . . . ?
B9' B9 B10 B1' 19.8(9) . . . . ?
B8 B9 B10 B1' -49.6(6) . . . . ?
Ti1 B9 B10 B1' 62.4(5) . . . . ?
B9' B9 B10 B2 70.8(8) . . . . ?
B1 B9 B10 B2 33.9(6) . . . . ?
B8 B9 B10 B2 1.5(5) . . . . ?
Ti1 B9 B10 B2 113.4(4) . . . . ?
B9' B9 B10 Ti1 -42.6(6) . . . . ?
B1 B9 B10 Ti1 -79.5(5) . . . . ?
B8 B9 B10 Ti1 -112.0(4) . . . . ?
B4 B5 B12 B11 45.5(8) . . . . ?
B1 B5 B12 B11 -116.6(11) . . . . ?
B6 B5 B12 B11 142.7(6) . . . . ?
Ti2 B5 B12 B11 150.1(11) . . . . ?
Ti1 B5 B12 B11 -72.6(3) . . . . ?
B4 B5 B12 B6 -97.2(10) . . . . ?
B1 B5 B12 B6 100.7(11) . . . . ?
B11 B5 B12 B6 -142.7(6) . . . . ?
Ti2 B5 B12 B6 7.5(8) . . . . ?
Ti1 B5 B12 B6 144.8(5) . . . . ?
B4 B5 B12 Ti1 118.1(9) . . . . ?
B1 B5 B12 Ti1 -44.0(9) . . . . ?
B11 B5 B12 Ti1 72.6(4) . . . . ?
B6 B5 B12 Ti1 -144.8(5) . . . . ?
Ti2 B5 B12 Ti1 -137.3(10) . . . . ?
B1' B5' B12 B11 -8.1(11) . . . . ?
B6 B5' B12 B11 115.5(6) . . . . ?
B9' B5' B12 B11 -128.4(7) . . . . ?
B7 B5' B12 B11 153.8(8) . . . . ?
Ti1 B5' B12 B11 -63.4(4) . . . . ?
Ti2 B5' B12 B11 73.7(9) . . . . ?
B1' B5' B12 B6 -123.6(13) . . . . ?
B9' B5' B12 B6 116.2(9) . . . . ?
B7 B5' B12 B6 38.3(7) . . . . ?
Ti1 B5' B12 B6 -178.8(7) . . . . ?
Ti2 B5' B12 B6 -41.8(7) . . . . ?
B1' B5' B12 Ti1 55.3(9) . . . . ?
B6 B5' B12 Ti1 178.8(7) . . . . ?
B9' B5' B12 Ti1 -65.0(7) . . . . ?
B7 B5' B12 Ti1 -142.8(10) . . . . ?
Ti2 B5' B12 Ti1 137.1(11) . . . . ?
B4 B11 B12 B5 -30.2(6) . . . . ?
Ti1 B11 B12 B5 79.8(5) . . . . ?
B11' B11 B12 B5' 18.0(10) . . . . ?
B4 B11 B12 B5' -47.7(7) . . . . ?
Ti1 B11 B12 B5' 62.3(5) . . . . ?
B11' B11 B12 B6 68.7(9) . . . . ?
B5 B11 B12 B6 33.2(6) . . . . ?
B4 B11 B12 B6 3.0(6) . . . . ?
Ti1 B11 B12 B6 113.0(4) . . . . ?
B11' B11 B12 Ti1 -44.3(7) . . . . ?
B5 B11 B12 Ti1 -79.8(5) . . . . ?
B4 B11 B12 Ti1 -110.0(4) . . . . ?
C25 C21 C22 C23 1.2(15) . . . . ?
C26 C21 C22 C23 174.1(15) . . . . ?
Ti3 C21 C22 C23 -63.7(12) . . . . ?
C25 C21 C22 C27 -173.9(13) . . . . ?
C26 C21 C22 C27 -1(2) . . . . ?
Ti3 C21 C22 C27 121.2(13) . . . . ?
C25 C21 C22 Ti3 65.0(7) . . . . ?
C26 C21 C22 Ti3 -122.1(12) . . . . ?
C21 C22 C23 C24 0.3(19) . . . . ?
C27 C22 C23 C24 175.1(16) . . . . ?
Ti3 C22 C23 C24 -62.9(14) . . . . ?
C21 C22 C23 C28 -170.7(18) . . . . ?
C27 C22 C23 C28 4(3) . . . . ?
Ti3 C22 C23 C28 126(2) . . . . ?
C21 C22 C23 Ti3 63.2(9) . . . . ?
C27 C22 C23 Ti3 -121.9(15) . . . . ?
C22 C23 C24 C25 -2(2) . . . . ?
C28 C23 C24 C25 169(2) . . . . ?
Ti3 C23 C24 C25 -66.4(12) . . . . ?
C22 C23 C24 C29 -176.7(18) . . . . ?
C28 C23 C24 C29 -6(3) . . . . ?
Ti3 C23 C24 C29 118.7(18) . . . . ?
C22 C23 C24 Ti3 64.6(13) . . . . ?
C28 C23 C24 Ti3 -125(2) . . . . ?
C23 C24 C25 C21 2.5(19) . . . . ?
C29 C24 C25 C21 177.1(17) . . . . ?
Ti3 C24 C25 C21 -64.4(8) . . . . ?
C23 C24 C25 C30 -170.9(16) . . . . ?
C29 C24 C25 C30 4(3) . . . . ?
Ti3 C24 C25 C30 122.2(13) . . . . ?
C23 C24 C25 Ti3 66.9(14) . . . . ?
C29 C24 C25 Ti3 -119(2) . . . . ?
C22 C21 C25 C24 -2.3(14) . . . . ?
C26 C21 C25 C24 -175.5(14) . . . . ?
Ti3 C21 C25 C24 63.8(11) . . . . ?
C22 C21 C25 C30 170.8(13) . . . . ?
C26 C21 C25 C30 -2.4(19) . . . . ?
Ti3 C21 C25 C30 -123.1(14) . . . . ?
C22 C21 C25 Ti3 -66.1(7) . . . . ?
C26 C21 C25 Ti3 120.7(11) . . . . ?
C35 C31 C32 C33 -1.3(19) . . . . ?
C36 C31 C32 C33 174.2(18) . . . . ?
Ti4 C31 C32 C33 -63.6(16) . . . . ?
C35 C31 C32 C37 -172.7(12) . . . . ?
C36 C31 C32 C37 3(2) . . . . ?
Ti4 C31 C32 C37 125.0(14) . . . . ?
C35 C31 C32 Ti4 62.3(7) . . . . ?
C36 C31 C32 Ti4 -122.2(11) . . . . ?
C31 C32 C33 C34 1(3) . . . . ?
C37 C32 C33 C34 171.2(17) . . . . ?
Ti4 C32 C33 C34 -64.1(18) . . . . ?
C31 C32 C33 C38 -177(2) . . . . ?
C37 C32 C33 C38 -6(4) . . . . ?
Ti4 C32 C33 C38 119(3) . . . . ?
C31 C32 C33 Ti4 64.6(11) . . . . ?
C37 C32 C33 Ti4 -124.7(17) . . . . ?
C32 C33 C34 C35 0(3) . . . . ?
C38 C33 C34 C35 177(2) . . . . ?
Ti4 C33 C34 C35 -64.5(11) . . . . ?
C32 C33 C34 C39 -175.4(16) . . . . ?
C38 C33 C34 C39 1(4) . . . . ?
Ti4 C33 C34 C39 119.6(16) . . . . ?
C32 C33 C34 Ti4 65.0(18) . . . . ?
C38 C33 C34 Ti4 -118(3) . . . . ?
C32 C31 C35 C34 1.6(14) . . . . ?
C36 C31 C35 C34 -174.2(10) . . . . ?
Ti4 C31 C35 C34 65.0(8) . . . . ?
C32 C31 C35 C40 172.6(11) . . . . ?
C36 C31 C35 C40 -3.2(17) . . . . ?
Ti4 C31 C35 C40 -124.1(11) . . . . ?
C32 C31 C35 Ti4 -63.4(9) . . . . ?
C36 C31 C35 Ti4 120.8(10) . . . . ?
C33 C34 C35 C31 -1(2) . . . . ?
C39 C34 C35 C31 174.3(14) . . . . ?
Ti4 C34 C35 C31 -66.3(7) . . . . ?
C33 C34 C35 C40 -172.7(17) . . . . ?
C39 C34 C35 C40 3(2) . . . . ?
Ti4 C34 C35 C40 122.3(10) . . . . ?
C33 C34 C35 Ti4 65.0(17) . . . . ?
C39 C34 C35 Ti4 -119.4(16) . . . . ?
B21 B13 B14 B24 -80.1(9) . . . . ?
B18 B13 B14 B24 -161.0(5) . . . . ?
B17 B13 B14 B24 77.2(8) . . . . ?
B22 B13 B14 B24 -3.4(10) . . . . ?
Ti3 B13 B14 B24 139.1(7) . . . . ?
Ti4 B13 B14 B24 -40.4(6) . . . . ?
B21 B13 B14 B20 78.9(8) . . . . ?
B18 B13 B14 B20 -2.0(7) . . . . ?
B17 B13 B14 B20 -123.8(6) . . . . ?
B22 B13 B14 B20 155.6(5) . . . . ?
Ti3 B13 B14 B20 -62.0(4) . . . . ?
Ti4 B13 B14 B20 118.6(5) . . . . ?
B21 B13 B14 B15 -160.3(5) . . . . ?
B18 B13 B14 B15 118.8(5) . . . . ?
B17 B13 B14 B15 -3.0(7) . . . . ?
B22 B13 B14 B15 -83.6(7) . . . . ?
Ti3 B13 B14 B15 58.8(4) . . . . ?
Ti4 B13 B14 B15 -120.6(5) . . . . ?
B21 B13 B14 B23 -2.2(10) . . . . ?
B18 B13 B14 B23 -83.1(7) . . . . ?
B17 B13 B14 B23 155.1(5) . . . . ?
B22 B13 B14 B23 74.5(8) . . . . ?
Ti3 B13 B14 B23 -143.1(6) . . . . ?
Ti4 B13 B14 B23 37.5(5) . . . . ?
B21 B13 B14 Ti3 140.9(6) . . . . ?
B18 B13 B14 Ti3 60.0(4) . . . . ?
B17 B13 B14 Ti3 -61.8(4) . . . . ?
B22 B13 B14 Ti3 -142.4(6) . . . . ?
Ti4 B13 B14 Ti3 -179.4(3) . . . . ?
B21 B13 B14 Ti4 -39.7(5) . . . . ?
B18 B13 B14 Ti4 -120.6(5) . . . . ?
B17 B13 B14 Ti4 117.6(5) . . . . ?
B22 B13 B14 Ti4 37.0(5) . . . . ?
Ti3 B13 B14 Ti4 179.4(3) . . . . ?
C25' C21' C22' C23' -2(2) . . . . ?
C26' C21' C22' C23' 167.9(19) . . . . ?
Ti3 C21' C22' C23' -69.0(17) . . . . ?
C25' C21' C22' C27' -175(2) . . . . ?
C26' C21' C22' C27' -5(3) . . . . ?
Ti3 C21' C22' C27' 118(2) . . . . ?
C25' C21' C22' Ti3 67.1(11) . . . . ?
C26' C21' C22' Ti3 -123.1(13) . . . . ?
C21' C22' C23' C24' 3(3) . . . . ?
C27' C22' C23' C24' 177(2) . . . . ?
Ti3 C22' C23' C24' -63.6(18) . . . . ?
C21' C22' C23' C28' -171(3) . . . . ?
C27' C22' C23' C28' 3(4) . . . . ?
Ti3 C22' C23' C28' 123(3) . . . . ?
C21' C22' C23' Ti3 66.3(13) . . . . ?
C27' C22' C23' Ti3 -119.7(19) . . . . ?
C22' C23' C24' C25' -3(3) . . . . ?
C28' C23' C24' C25' 172(2) . . . . ?
Ti3 C23' C24' C25' -63.9(15) . . . . ?
C22' C23' C24' C29' -176(2) . . . . ?
C28' C23' C24' C29' -1(4) . . . . ?
Ti3 C23' C24' C29' 123(3) . . . . ?
C22' C23' C24' Ti3 61.3(17) . . . . ?
C28' C23' C24' Ti3 -124(2) . . . . ?
C22' C21' C25' C24' 0(2) . . . . ?
C26' C21' C25' C24' -167.3(19) . . . . ?
Ti3 C21' C25' C24' 64.9(14) . . . . ?
C22' C21' C25' C30' 173.1(14) . . . . ?
C26' C21' C25' C30' 6(3) . . . . ?
Ti3 C21' C25' C30' -122.3(14) . . . . ?
C22' C21' C25' Ti3 -64.6(11) . . . . ?
C26' C21' C25' Ti3 127.9(18) . . . . ?
C23' C24' C25' C21' 1(2) . . . . ?
C29' C24' C25' C21' 175.8(18) . . . . ?
Ti3 C24' C25' C21' -63.0(11) . . . . ?
C23' C24' C25' C30' -170(2) . . . . ?
C29' C24' C25' C30' 4(3) . . . . ?
Ti3 C24' C25' C30' 125.4(18) . . . . ?
C23' C24' C25' Ti3 64.3(17) . . . . ?
C29' C24' C25' Ti3 -121(2) . . . . ?
C35' C31' C32' C33' 4(3) . . . . ?
C36' C31' C32' C33' 177(2) . . . . ?
Ti4 C31' C32' C33' -65(2) . . . . ?
C35' C31' C32' C37' -170.4(19) . . . . ?
C36' C31' C32' C37' 2(3) . . . . ?
Ti4 C31' C32' C37' 121(2) . . . . ?
C35' C31' C32' Ti4 68.6(10) . . . . ?
C36' C31' C32' Ti4 -118.6(16) . . . . ?
C31' C32' C33' C34' -3(4) . . . . ?
C37' C32' C33' C34' 171(2) . . . . ?
Ti4 C32' C33' C34' -68(3) . . . . ?
C31' C32' C33' C38' -174(3) . . . . ?
C37' C32' C33' C38' 0(6) . . . . ?
Ti4 C32' C33' C38' 121(4) . . . . ?
C31' C32' C33' Ti4 64.7(16) . . . . ?
C37' C32' C33' Ti4 -121(2) . . . . ?
C32' C33' C34' C35' 1(4) . . . . ?
C38' C33' C34' C35' 172(3) . . . . ?
Ti4 C33' C34' C35' -64.6(16) . . . . ?
C32' C33' C34' C39' -170(2) . . . . ?
C38' C33' C34' C39' 1(6) . . . . ?
Ti4 C33' C34' C39' 124(3) . . . . ?
C32' C33' C34' Ti4 66(3) . . . . ?
C38' C33' C34' Ti4 -123(4) . . . . ?
C33' C34' C35' C31' 2(3) . . . . ?
C39' C34' C35' C31' 173.4(18) . . . . ?
Ti4 C34' C35' C31' -60.7(10) . . . . ?
C33' C34' C35' C40' -173(2) . . . . ?
C39' C34' C35' C40' -1(3) . . . . ?
Ti4 C34' C35' C40' 124.5(16) . . . . ?
C33' C34' C35' Ti4 62(2) . . . . ?
C39' C34' C35' Ti4 -126(2) . . . . ?
C32' C31' C35' C34' -3(2) . . . . ?
C36' C31' C35' C34' -176.0(17) . . . . ?
Ti4 C31' C35' C34' 62.9(12) . . . . ?
C32' C31' C35' C40' 171.9(16) . . . . ?
C36' C31' C35' C40' -1(2) . . . . ?
Ti4 C31' C35' C40' -121.9(13) . . . . ?
C32' C31' C35' Ti4 -66.3(13) . . . . ?
C36' C31' C35' Ti4 121.1(17) . . . . ?
B18 B13' B14' B15 -79.1(13) . . . . ?
B21 B13' B14' B15 -161.5(7) . . . . ?
B23' B13' B14' B15 79.2(11) . . . . ?
B19 B13' B14' B15 -5.3(14) . . . . ?
B20 B13' B14' B15 24.9(10) . . . . ?
Ti4 B13' B14' B15 141.2(9) . . . . ?
Ti3 B13' B14' B15 -39.1(8) . . . . ?
B18 B13' B14' B24 -162.2(7) . . . . ?
B21 B13' B14' B24 115.4(8) . . . . ?
B23' B13' B14' B24 -3.8(11) . . . . ?
B19 B13' B14' B24 -88.4(10) . . . . ?
B20 B13' B14' B24 -58.2(7) . . . . ?
Ti4 B13' B14' B24 58.2(6) . . . . ?
Ti3 B13' B14' B24 -122.1(7) . . . . ?
B18 B13' B14' B22' 78.2(11) . . . . ?
B21 B13' B14' B22' -4.2(10) . . . . ?
B23' B13' B14' B22' -123.5(9) . . . . ?
B19 B13' B14' B22' 152.0(8) . . . . ?
B20 B13' B14' B22' -177.8(7) . . . . ?
Ti4 B13' B14' B22' -61.5(7) . . . . ?
Ti3 B13' B14' B22' 118.2(7) . . . . ?
B18 B13' B14' B16 -6.5(14) . . . . ?
B21 B13' B14' B16 -88.9(9) . . . . ?
B23' B13' B14' B16 151.8(8) . . . . ?
B19 B13' B14' B16 67.3(12) . . . . ?
B20 B13' B14' B16 97.5(8) . . . . ?
Ti4 B13' B14' B16 -146.2(8) . . . . ?
Ti3 B13' B14' B16 33.5(7) . . . . ?
B18 B13' B14' Ti4 139.7(10) . . . . ?
B21 B13' B14' Ti4 57.3(6) . . . . ?
B23' B13' B14' Ti4 -62.0(7) . . . . ?
B19 B13' B14' Ti4 -146.6(8) . . . . ?
B20 B13' B14' Ti4 -116.4(4) . . . . ?
Ti3 B13' B14' Ti4 179.7(4) . . . . ?
B18 B13' B14' Ti3 -40.0(8) . . . . ?
B21 B13' B14' Ti3 -122.4(7) . . . . ?
B23' B13' B14' Ti3 118.3(7) . . . . ?
B19 B13' B14' Ti3 33.7(7) . . . . ?
B20 B13' B14' Ti3 63.9(3) . . . . ?
Ti4 B13' B14' Ti3 -179.7(4) . . . . ?
B15 B14' B22' B22 154.9(8) . . . . ?
B24 B14' B22' B22 -125.0(8) . . . . ?
B13' B14' B22' B22 -3.4(10) . . . . ?
B16 B14' B22' B22 116.7(7) . . . . ?
Ti4 B14' B22' B22 -61.3(6) . . . . ?
Ti3 B14' B22' B22 70.8(9) . . . . ?
B15 B14' B22' B17 85.8(8) . . . . ?
B24 B14' B22' B17 165.9(7) . . . . ?
B13' B14' B22' B17 -72.5(7) . . . . ?
B16 B14' B22' B17 47.6(4) . . . . ?
Ti4 B14' B22' B17 -130.4(5) . . . . ?
Ti3 B14' B22' B17 1.7(7) . . . . ?
B15 B14' B22' Ti4 -143.8(9) . . . . ?
B24 B14' B22' Ti4 -63.7(6) . . . . ?
B13' B14' B22' Ti4 57.9(6) . . . . ?
B16 B14' B22' Ti4 178.0(5) . . . . ?
Ti3 B14' B22' Ti4 132.1(7) . . . . ?
B18 B13' B23' B23 157.1(8) . . . . ?
B21 B13' B23' B23 -124.0(7) . . . . ?
B14' B13' B23' B23 -2.8(10) . . . . ?
B19 B13' B23' B23 118.8(7) . . . . ?
B20 B13' B23' B23 71.2(7) . . . . ?
Ti4 B13' B23' B23 -60.6(6) . . . . ?
Ti3 B13' B23' B23 72.7(9) . . . . ?
B18 B13' B23' B20 85.9(8) . . . . ?
B21 B13' B23' B20 164.8(7) . . . . ?
B14' B13' B23' B20 -74.0(7) . . . . ?
B19 B13' B23' B20 47.6(4) . . . . ?
Ti4 B13' B23' B20 -131.8(5) . . . . ?
Ti3 B13' B23' B20 1.6(7) . . . . ?
B18 B13' B23' Ti4 -142.3(9) . . . . ?
B21 B13' B23' Ti4 -63.5(5) . . . . ?
B14' B13' B23' Ti4 57.7(6) . . . . ?
B19 B13' B23' Ti4 179.4(5) . . . . ?
B20 B13' B23' Ti4 131.8(5) . . . . ?
Ti3 B13' B23' Ti4 133.3(7) . . . . ?
B24 B14' B15 B16 -146.0(5) . . . . ?
B22' B14' B15 B16 -44.7(8) . . . . ?
B13' B14' B15 B16 109.5(9) . . . . ?
Ti4 B14' B15 B16 -150.3(12) . . . . ?
Ti3 B14' B15 B16 70.9(3) . . . . ?
B22' B14' B15 B24 101.3(9) . . . . ?
B13' B14' B15 B24 -104.5(10) . . . . ?
B16 B14' B15 B24 146.0(5) . . . . ?
Ti4 B14' B15 B24 -4.2(8) . . . . ?
Ti3 B14' B15 B24 -143.1(5) . . . . ?
B24 B14' B15 Ti3 143.1(5) . . . . ?
B22' B14' B15 Ti3 -115.6(9) . . . . ?
B13' B14' B15 Ti3 38.6(8) . . . . ?
B16 B14' B15 Ti3 -70.9(3) . . . . ?
Ti4 B14' B15 Ti3 138.8(11) . . . . ?
B24 B14 B15 B16 -118.1(4) . . . . ?
B20 B14 B15 B16 124.5(5) . . . . ?
B13 B14 B15 B16 3.8(6) . . . . ?
B23 B14 B15 B16 -155.0(5) . . . . ?
Ti3 B14 B15 B16 59.0(3) . . . . ?
Ti4 B14 B15 B16 -74.7(5) . . . . ?
B20 B14 B15 B24 -117.4(6) . . . . ?
B13 B14 B15 B24 121.8(6) . . . . ?
B23 B14 B15 B24 -37.0(5) . . . . ?
Ti3 B14 B15 B24 177.0(4) . . . . ?
Ti4 B14 B15 B24 43.4(4) . . . . ?
B24 B14 B15 Ti3 -177.0(4) . . . . ?
B20 B14 B15 Ti3 65.5(4) . . . . ?
B13 B14 B15 Ti3 -55.2(4) . . . . ?
B23 B14 B15 Ti3 146.0(6) . . . . ?
Ti4 B14 B15 Ti3 -133.7(5) . . . . ?
B14' B15 B16 B17 -24.9(6) . . . . ?
B14 B15 B16 B17 -4.0(7) . . . . ?
B24 B15 B16 B17 -56.0(7) . . . . ?
Ti3 B15 B16 B17 52.9(5) . . . . ?
B24 B15 B16 B14' -31.1(5) . . . . ?
Ti3 B15 B16 B14' 77.8(4) . . . . ?
B14' B15 B16 Ti3 -77.8(4) . . . . ?
B14 B15 B16 Ti3 -56.8(3) . . . . ?
B24 B15 B16 Ti3 -108.9(4) . . . . ?
B15 B16 B17 B13 2.3(7) . . . . ?
Ti3 B16 B17 B13 53.8(4) . . . . ?
B15 B16 B17 B22' 69.7(6) . . . . ?
B14' B16 B17 B22' 49.5(5) . . . . ?
Ti3 B16 B17 B22' 121.1(4) . . . . ?
B15 B16 B17 B22 59.5(7) . . . . ?
B14' B16 B17 B22 39.3(5) . . . . ?
Ti3 B16 B17 B22 110.9(4) . . . . ?
B15 B16 B17 Ti3 -51.5(4) . . . . ?
B14' B16 B17 Ti3 -71.6(4) . . . . ?
B21 B13 B17 B16 158.9(5) . . . . ?
B18 B13 B17 B16 -122.5(5) . . . . ?
B14 B13 B17 B16 0.5(7) . . . . ?
B22 B13 B17 B16 118.9(5) . . . . ?
Ti3 B13 B17 B16 -57.0(4) . . . . ?
Ti4 B13 B17 B16 76.9(6) . . . . ?
B21 B13 B17 B22 40.0(5) . . . . ?
B18 B13 B17 B22 118.6(5) . . . . ?
B14 B13 B17 B22 -118.4(6) . . . . ?
Ti3 B13 B17 B22 -175.9(4) . . . . ?
Ti4 B13 B17 B22 -41.9(4) . . . . ?
B21 B13 B17 Ti3 -144.1(6) . . . . ?
B18 B13 B17 Ti3 -65.5(4) . . . . ?
B14 B13 B17 Ti3 57.5(4) . . . . ?
B22 B13 B17 Ti3 175.9(4) . . . . ?
Ti4 B13 B17 Ti3 133.9(5) . . . . ?
B21 B13' B18 B19 -146.0(5) . . . . ?
B23' B13' B18 B19 -45.0(8) . . . . ?
B14' B13' B18 B19 110.6(10) . . . . ?
B20 B13' B18 B19 14.9(4) . . . . ?
Ti4 B13' B18 B19 -149.0(12) . . . . ?
Ti3 B13' B18 B19 70.8(3) . . . . ?
B23' B13' B18 B21 101.0(9) . . . . ?
B14' B13' B18 B21 -103.4(10) . . . . ?
B19 B13' B18 B21 146.0(5) . . . . ?
B20 B13' B18 B21 160.8(7) . . . . ?
Ti4 B13' B18 B21 -3.0(8) . . . . ?
Ti3 B13' B18 B21 -143.2(5) . . . . ?
B21 B13' B18 Ti3 143.2(5) . . . . ?
B23' B13' B18 Ti3 -115.8(9) . . . . ?
B14' B13' B18 Ti3 39.8(9) . . . . ?
B19 B13' B18 Ti3 -70.8(3) . . . . ?
B20 B13' B18 Ti3 -55.9(4) . . . . ?
Ti4 B13' B18 Ti3 140.2(11) . . . . ?
B21 B13 B18 B19 -118.8(4) . . . . ?
B17 B13 B18 B19 124.5(5) . . . . ?
B14 B13 B18 B19 2.0(6) . . . . ?
B22 B13 B18 B19 -155.6(5) . . . . ?
Ti3 B13 B18 B19 58.4(3) . . . . ?
Ti4 B13 B18 B19 -75.6(5) . . . . ?
B17 B13 B18 B21 -116.7(6) . . . . ?
B14 B13 B18 B21 120.8(6) . . . . ?
B22 B13 B18 B21 -36.8(5) . . . . ?
Ti3 B13 B18 B21 177.2(4) . . . . ?
Ti4 B13 B18 B21 43.2(4) . . . . ?
B21 B13 B18 Ti3 -177.2(4) . . . . ?
B17 B13 B18 Ti3 66.2(4) . . . . ?
B14 B13 B18 Ti3 -56.4(4) . . . . ?
B22 B13 B18 Ti3 146.0(6) . . . . ?
Ti4 B13 B18 Ti3 -134.0(5) . . . . ?
B13' B18 B19 B20 -22.1(6) . . . . ?
B13 B18 B19 B20 -1.6(6) . . . . ?
B21 B18 B19 B20 -53.8(6) . . . . ?
Ti3 B18 B19 B20 54.7(4) . . . . ?
B21 B18 B19 B13' -31.7(5) . . . . ?
Ti3 B18 B19 B13' 76.8(5) . . . . ?
B13' B18 B19 Ti3 -76.8(5) . . . . ?
B13 B18 B19 Ti3 -56.3(3) . . . . ?
B21 B18 B19 Ti3 -108.5(3) . . . . ?
B18 B19 B20 B14 0.5(7) . . . . ?
Ti3 B19 B20 B14 53.7(4) . . . . ?
B18 B19 B20 B23' 69.0(6) . . . . ?
B13' B19 B20 B23' 50.9(5) . . . . ?
Ti3 B19 B20 B23' 122.2(4) . . . . ?
B18 B19 B20 B23 58.0(7) . . . . ?
B13' B19 B20 B23 40.0(6) . . . . ?
Ti3 B19 B20 B23 111.3(5) . . . . ?
B18 B19 B20 B13' 18.1(5) . . . . ?
Ti3 B19 B20 B13' 71.3(4) . . . . ?
B18 B19 B20 Ti3 -53.2(4) . . . . ?
B13' B19 B20 Ti3 -71.3(4) . . . . ?
B24 B14 B20 B19 160.9(6) . . . . ?
B15 B14 B20 B19 -120.8(5) . . . . ?
B13 B14 B20 B19 0.9(7) . . . . ?
B23 B14 B20 B19 121.4(5) . . . . ?
Ti3 B14 B20 B19 -56.3(4) . . . . ?
Ti4 B14 B20 B19 77.9(6) . . . . ?
B24 B14 B20 B23 39.5(5) . . . . ?
B15 B14 B20 B23 117.8(6) . . . . ?
B13 B14 B20 B23 -120.5(6) . . . . ?
Ti3 B14 B20 B23 -177.7(4) . . . . ?
Ti4 B14 B20 B23 -43.5(4) . . . . ?
B24 B14 B20 Ti3 -142.8(6) . . . . ?
B15 B14 B20 Ti3 -64.5(4) . . . . ?
B13 B14 B20 Ti3 57.2(4) . . . . ?
B23 B14 B20 Ti3 177.7(4) . . . . ?
Ti4 B14 B20 Ti3 134.2(5) . . . . ?
B23 B23' B20 B19 -166.4(6) . . . . ?
B13' B23' B20 B19 -60.3(6) . . . . ?
Ti4 B23' B20 B19 -107.2(6) . . . . ?
B13' B23' B20 B23 106.1(7) . . . . ?
Ti4 B23' B20 B23 59.2(6) . . . . ?
B23 B23' B20 B13' -106.1(7) . . . . ?
Ti4 B23' B20 B13' -46.8(5) . . . . ?
B23 B23' B20 Ti3 -107.5(6) . . . . ?
B13' B23' B20 Ti3 -1.4(7) . . . . ?
Ti4 B23' B20 Ti3 -48.3(8) . . . . ?
B18 B13 B21 B22 -145.1(4) . . . . ?
B17 B13 B21 B22 -43.5(5) . . . . ?
B14 B13 B21 B22 111.7(7) . . . . ?
Ti3 B13 B21 B22 -149.7(8) . . . . ?
Ti4 B13 B21 B22 72.0(3) . . . . ?
B17 B13 B21 B18 101.6(6) . . . . ?
B14 B13 B21 B18 -103.2(7) . . . . ?
B22 B13 B21 B18 145.1(4) . . . . ?
Ti3 B13 B21 B18 -4.6(6) . . . . ?
Ti4 B13 B21 B18 -142.9(4) . . . . ?
B18 B13 B21 Ti4 142.9(4) . . . . ?
B17 B13 B21 Ti4 -115.5(6) . . . . ?
B14 B13 B21 Ti4 39.7(6) . . . . ?
B22 B13 B21 Ti4 -72.0(3) . . . . ?
Ti3 B13 B21 Ti4 138.3(8) . . . . ?
B18 B13' B21 B22 -115.8(5) . . . . ?
B23' B13' B21 B22 126.5(7) . . . . ?
B14' B13' B21 B22 8.2(8) . . . . ?
B19 B13' B21 B22 -149.1(7) . . . . ?
B20 B13' B21 B22 169(2) . . . . ?
Ti4 B13' B21 B22 62.3(3) . . . . ?
Ti3 B13' B21 B22 -71.3(7) . . . . ?
B23' B13' B21 B18 -117.8(8) . . . . ?
B14' B13' B21 B18 123.9(9) . . . . ?
B19 B13' B21 B18 -33.3(5) . . . . ?
B20 B13' B21 B18 -76(2) . . . . ?
Ti4 B13' B21 B18 178.1(5) . . . . ?
Ti3 B13' B21 B18 44.4(5) . . . . ?
B18 B13' B21 Ti4 -178.1(5) . . . . ?
B23' B13' B21 Ti4 64.1(6) . . . . ?
B14' B13' B21 Ti4 -54.2(6) . . . . ?
B19 B13' B21 Ti4 148.6(8) . . . . ?
B20 B13' B21 Ti4 106(2) . . . . ?
Ti3 B13' B21 Ti4 -133.6(7) . . . . ?
B14' B22' B22 B21 11.2(11) . . . . ?
B17 B22' B22 B21 78.8(7) . . . . ?
Ti4 B22' B22 B21 -45.6(6) . . . . ?
B14' B22' B22 B17 -67.7(6) . . . . ?
Ti4 B22' B22 B17 -124.4(4) . . . . ?
B14' B22' B22 Ti4 56.8(6) . . . . ?
B17 B22' B22 Ti4 124.4(4) . . . . ?
B13' B21 B22 B22' -13.2(9) . . . . ?
B18 B21 B22 B22' -63.4(8) . . . . ?
Ti4 B21 B22 B22' 47.6(7) . . . . ?
B18 B21 B22 B13 -30.7(4) . . . . ?
Ti4 B21 B22 B13 80.3(3) . . . . ?
B13 B21 B22 B17 29.7(4) . . . . ?
B13' B21 B22 B17 49.1(5) . . . . ?
B18 B21 B22 B17 -1.0(4) . . . . ?
Ti4 B21 B22 B17 109.9(3) . . . . ?
B13 B21 B22 Ti4 -80.3(3) . . . . ?
B13' B21 B22 Ti4 -60.8(4) . . . . ?
B18 B21 B22 Ti4 -111.0(3) . . . . ?
B18 B13 B22 B21 39.7(5) . . . . ?
B17 B13 B22 B21 141.3(5) . . . . ?
B14 B13 B22 B21 -115.5(7) . . . . ?
Ti3 B13 B22 B21 148.4(8) . . . . ?
Ti4 B13 B22 B21 -77.4(3) . . . . ?
B21 B13 B22 B17 -141.3(5) . . . . ?
B18 B13 B22 B17 -101.6(6) . . . . ?
B14 B13 B22 B17 103.2(7) . . . . ?
Ti3 B13 B22 B17 7.0(6) . . . . ?
Ti4 B13 B22 B17 141.3(4) . . . . ?
B21 B13 B22 Ti4 77.4(3) . . . . ?
B18 B13 B22 Ti4 117.1(6) . . . . ?
B17 B13 B22 Ti4 -141.3(4) . . . . ?
B14 B13 B22 Ti4 -38.1(5) . . . . ?
Ti3 B13 B22 Ti4 -134.2(7) . . . . ?
B13' B23' B23 B24 9.6(11) . . . . ?
B20 B23' B23 B24 77.0(7) . . . . ?
Ti4 B23' B23 B24 -46.3(6) . . . . ?
B13' B23' B23 B20 -67.3(6) . . . . ?
Ti4 B23' B23 B20 -123.3(4) . . . . ?
B13' B23' B23 Ti4 56.0(6) . . . . ?
B20 B23' B23 Ti4 123.3(4) . . . . ?
B20 B14 B23 B24 142.1(5) . . . . ?
B15 B14 B23 B24 39.8(5) . . . . ?
B13 B14 B23 B24 -116.2(7) . . . . ?
Ti3 B14 B23 B24 146.0(9) . . . . ?
Ti4 B14 B23 B24 -77.4(3) . . . . ?
B24 B14 B23 B20 -142.1(5) . . . . ?
B15 B14 B23 B20 -102.3(6) . . . . ?
B13 B14 B23 B20 101.7(7) . . . . ?
Ti3 B14 B23 B20 3.9(7) . . . . ?
Ti4 B14 B23 B20 140.4(4) . . . . ?
B24 B14 B23 Ti4 77.4(3) . . . . ?
B20 B14 B23 Ti4 -140.4(4) . . . . ?
B15 B14 B23 Ti4 117.3(6) . . . . ?
B13 B14 B23 Ti4 -38.7(6) . . . . ?
Ti3 B14 B23 Ti4 -136.5(8) . . . . ?
B20 B14 B24 B23 -43.2(5) . . . . ?
B15 B14 B24 B23 -144.5(5) . . . . ?
B13 B14 B24 B23 113.4(7) . . . . ?
Ti3 B14 B24 B23 -149.2(8) . . . . ?
Ti4 B14 B24 B23 72.8(3) . . . . ?
B20 B14 B24 B15 101.3(7) . . . . ?
B13 B14 B24 B15 -102.1(7) . . . . ?
B23 B14 B24 B15 144.5(5) . . . . ?
Ti3 B14 B24 B15 -4.7(6) . . . . ?
Ti4 B14 B24 B15 -142.7(4) . . . . ?
B20 B14 B24 Ti4 -116.0(6) . . . . ?
B15 B14 B24 Ti4 142.7(4) . . . . ?
B13 B14 B24 Ti4 40.6(6) . . . . ?
B23 B14 B24 Ti4 -72.8(3) . . . . ?
Ti3 B14 B24 Ti4 138.0(8) . . . . ?
B15 B14' B24 B23 -115.1(5) . . . . ?
B22' B14' B24 B23 126.1(7) . . . . ?
B13' B14' B24 B23 7.3(8) . . . . ?
B16 B14' B24 B23 -148.9(7) . . . . ?
Ti4 B14' B24 B23 62.3(3) . . . . ?
Ti3 B14' B24 B23 -70.6(7) . . . . ?
B22' B14' B24 B15 -118.8(9) . . . . ?
B13' B14' B24 B15 122.3(9) . . . . ?
B16 B14' B24 B15 -33.8(5) . . . . ?
Ti4 B14' B24 B15 177.4(5) . . . . ?
Ti3 B14' B24 B15 44.5(6) . . . . ?
B15 B14' B24 Ti4 -177.4(5) . . . . ?
B22' B14' B24 Ti4 63.8(7) . . . . ?
B13' B14' B24 Ti4 -55.1(6) . . . . ?
B16 B14' B24 Ti4 148.8(8) . . . . ?
Ti3 B14' B24 Ti4 -132.9(8) . . . . ?
B20 B23 B24 B14 28.8(4) . . . . ?
Ti4 B23 B24 B14 -79.4(4) . . . . ?
B23' B23 B24 B14' -11.6(9) . . . . ?
B20 B23 B24 B14' 47.8(5) . . . . ?
Ti4 B23 B24 B14' -60.4(4) . . . . ?
B23' B23 B24 B15 -62.0(9) . . . . ?
B14 B23 B24 B15 -31.4(4) . . . . ?
B20 B23 B24 B15 -2.6(5) . . . . ?
Ti4 B23 B24 B15 -110.8(3) . . . . ?
B23' B23 B24 Ti4 48.8(8) . . . . ?
B14 B23 B24 Ti4 79.4(3) . . . . ?
B20 B23 B24 Ti4 108.2(3) . . . . ?
C45 C41 C42 C43 -3.9(12) . . . . ?
C46 C41 C42 C43 -176.5(9) . . . . ?
Ti5 C41 C42 C43 61.0(7) . . . . ?
C45 C41 C42 C47 168.3(9) . . . . ?
C46 C41 C42 C47 -4.4(14) . . . . ?
Ti5 C41 C42 C47 -126.8(8) . . . . ?
C45 C41 C42 Ti5 -64.9(8) . . . . ?
C46 C41 C42 Ti5 122.4(9) . . . . ?
C41 C42 C43 C44 3.3(11) . . . . ?
C47 C42 C43 C44 -169.7(8) . . . . ?
Ti5 C42 C43 C44 64.5(7) . . . . ?
C41 C42 C43 C48 176.4(11) . . . . ?
C47 C42 C43 C48 3.4(16) . . . . ?
Ti5 C42 C43 C48 -122.5(12) . . . . ?
C41 C42 C43 Ti5 -61.2(7) . . . . ?
C47 C42 C43 Ti5 125.8(7) . . . . ?
C42 C43 C44 C45 -1.4(13) . . . . ?
C48 C43 C44 C45 -175.5(9) . . . . ?
Ti5 C43 C44 C45 66.0(8) . . . . ?
C42 C43 C44 C49 168.0(11) . . . . ?
C48 C43 C44 C49 -6.1(18) . . . . ?
Ti5 C43 C44 C49 -124.5(12) . . . . ?
C42 C43 C44 Ti5 -67.5(7) . . . . ?
C48 C43 C44 Ti5 118.4(9) . . . . ?
C43 C44 C45 C41 -0.9(14) . . . . ?
C49 C44 C45 C41 -172.3(10) . . . . ?
Ti5 C44 C45 C41 65.6(9) . . . . ?
C43 C44 C45 C50 174.8(13) . . . . ?
C49 C44 C45 C50 3(2) . . . . ?
Ti5 C44 C45 C50 -118.7(15) . . . . ?
C43 C44 C45 Ti5 -66.5(8) . . . . ?
C49 C44 C45 Ti5 122.1(9) . . . . ?
C42 C41 C45 C44 2.8(13) . . . . ?
C46 C41 C45 C44 174.2(11) . . . . ?
Ti5 C41 C45 C44 -64.0(9) . . . . ?
C42 C41 C45 C50 -173.8(9) . . . . ?
C46 C41 C45 C50 -2(2) . . . . ?
Ti5 C41 C45 C50 119.3(10) . . . . ?
C42 C41 C45 Ti5 66.8(7) . . . . ?
C46 C41 C45 Ti5 -121.8(12) . . . . ?
C55 C51 C52 C53 -1.9(11) . . . . ?
C56 C51 C52 C53 -176.7(9) . . . . ?
Ti6 C51 C52 C53 62.7(6) . . . . ?
C55 C51 C52 C57 173.5(8) . . . . ?
C56 C51 C52 C57 -1.3(16) . . . . ?
Ti6 C51 C52 C57 -121.8(9) . . . . ?
C55 C51 C52 Ti6 -64.7(7) . . . . ?
C56 C51 C52 Ti6 120.5(10) . . . . ?
C51 C52 C53 C54 1.9(10) . . . . ?
C57 C52 C53 C54 -174.1(8) . . . . ?
Ti6 C52 C53 C54 63.7(7) . . . . ?
C51 C52 C53 C58 174.5(8) . . . . ?
C57 C52 C53 C58 -1.5(12) . . . . ?
Ti6 C52 C53 C58 -123.6(8) . . . . ?
C51 C52 C53 Ti6 -61.8(6) . . . . ?
C57 C52 C53 Ti6 122.2(7) . . . . ?
C52 C53 C54 C55 -1.0(11) . . . . ?
C58 C53 C54 C55 -174.3(8) . . . . ?
Ti6 C53 C54 C55 63.8(7) . . . . ?
C52 C53 C54 C59 174.2(10) . . . . ?
C58 C53 C54 C59 1.0(17) . . . . ?
Ti6 C53 C54 C59 -120.9(12) . . . . ?
C52 C53 C54 Ti6 -64.8(6) . . . . ?
C58 C53 C54 Ti6 121.9(7) . . . . ?
C52 C51 C55 C54 1.3(12) . . . . ?
C56 C51 C55 C54 174.9(12) . . . . ?
Ti6 C51 C55 C54 -65.5(7) . . . . ?
C52 C51 C55 C60 -173.5(9) . . . . ?
C56 C51 C55 C60 0.1(19) . . . . ?
Ti6 C51 C55 C60 119.7(9) . . . . ?
C52 C51 C55 Ti6 66.8(7) . . . . ?
C56 C51 C55 Ti6 -119.6(14) . . . . ?
C53 C54 C55 C51 -0.2(13) . . . . ?
C59 C54 C55 C51 -175.9(10) . . . . ?
Ti6 C54 C55 C51 65.5(8) . . . . ?
C53 C54 C55 C60 173.6(10) . . . . ?
C59 C54 C55 C60 -2.2(18) . . . . ?
Ti6 C54 C55 C60 -120.7(11) . . . . ?
C53 C54 C55 Ti6 -65.7(7) . . . . ?
C59 C54 C55 Ti6 118.5(10) . . . . ?
B33 B25 B26 B35 -81.1(8) . . . . ?
B29 B25 B26 B35 -160.3(5) . . . . ?
B30 B25 B26 B35 77.5(7) . . . . ?
B34 B25 B26 B35 -1.8(9) . . . . ?
Ti5 B25 B26 B35 139.0(6) . . . . ?
Ti6 B25 B26 B35 -40.7(5) . . . . ?
B33 B25 B26 B27 78.3(7) . . . . ?
B29 B25 B26 B27 -0.9(6) . . . . ?
B30 B25 B26 B27 -123.1(5) . . . . ?
B34 B25 B26 B27 157.6(5) . . . . ?
Ti5 B25 B26 B27 -61.7(4) . . . . ?
Ti6 B25 B26 B27 118.7(4) . . . . ?
B33 B25 B26 B32 -159.7(5) . . . . ?
B29 B25 B26 B32 121.2(5) . . . . ?
B30 B25 B26 B32 -1.1(6) . . . . ?
B34 B25 B26 B32 -80.3(6) . . . . ?
Ti5 B25 B26 B32 60.4(4) . . . . ?
Ti6 B25 B26 B32 -119.2(4) . . . . ?
B33 B25 B26 B36 -1.6(9) . . . . ?
B29 B25 B26 B36 -80.8(6) . . . . ?
B30 B25 B26 B36 157.0(5) . . . . ?
B34 B25 B26 B36 77.7(8) . . . . ?
Ti5 B25 B26 B36 -141.5(6) . . . . ?
Ti6 B25 B26 B36 38.8(5) . . . . ?
B33 B25 B26 Ti5 139.9(6) . . . . ?
B29 B25 B26 Ti5 60.8(4) . . . . ?
B30 B25 B26 Ti5 -61.5(4) . . . . ?
B34 B25 B26 Ti5 -140.7(6) . . . . ?
Ti6 B25 B26 Ti5 -179.6(3) . . . . ?
B33 B25 B26 Ti6 -40.4(5) . . . . ?
B29 B25 B26 Ti6 -119.6(4) . . . . ?
B30 B25 B26 Ti6 118.2(5) . . . . ?
B34 B25 B26 Ti6 38.9(5) . . . . ?
Ti5 B25 B26 Ti6 179.6(3) . . . . ?
C45' C41' C42' C43' 4(2) . . . . ?
C46' C41' C42' C43' -169.4(15) . . . . ?
Ti5 C41' C42' C43' 69.1(13) . . . . ?
C45' C41' C42' C47' 172(2) . . . . ?
C46' C41' C42' C47' -1(4) . . . . ?
Ti5 C41' C42' C47' -123(3) . . . . ?
C45' C41' C42' Ti5 -64.9(16) . . . . ?
C46' C41' C42' Ti5 121.5(16) . . . . ?
C41' C42' C43' C44' -2(2) . . . . ?
C47' C42' C43' C44' -173.6(14) . . . . ?
Ti5 C42' C43' C44' 64.9(10) . . . . ?
C41' C42' C43' C48' 176.2(17) . . . . ?
C47' C42' C43' C48' 4(3) . . . . ?
Ti5 C42' C43' C48' -117(2) . . . . ?
C41' C42' C43' Ti5 -66.5(14) . . . . ?
C47' C42' C43' Ti5 121.4(15) . . . . ?
C42' C43' C44' C45' -1.5(19) . . . . ?
C48' C43' C44' C45' -179.9(15) . . . . ?
Ti5 C43' C44' C45' 60.3(13) . . . . ?
C42' C43' C44' C49' 167.3(15) . . . . ?
C48' C43' C44' C49' -11(2) . . . . ?
Ti5 C43' C44' C49' -130.9(16) . . . . ?
C42' C43' C44' Ti5 -61.7(12) . . . . ?
C48' C43' C44' Ti5 119.9(12) . . . . ?
C42' C41' C45' C44' -5(2) . . . . ?
C46' C41' C45' C44' 166(2) . . . . ?
Ti5 C41' C45' C44' -68.5(14) . . . . ?
C42' C41' C45' C50' -175.6(17) . . . . ?
C46' C41' C45' C50' -5(4) . . . . ?
Ti5 C41' C45' C50' 120.9(18) . . . . ?
C42' C41' C45' Ti5 63.6(15) . . . . ?
C46' C41' C45' Ti5 -126(3) . . . . ?
C43' C44' C45' C41' 4(2) . . . . ?
C49' C44' C45' C41' -167.1(15) . . . . ?
Ti5 C44' C45' C41' 65.6(15) . . . . ?
C43' C44' C45' C50' 171(2) . . . . ?
C49' C44' C45' C50' 0(3) . . . . ?
Ti5 C44' C45' C50' -127(3) . . . . ?
C43' C44' C45' Ti5 -61.6(11) . . . . ?
C49' C44' C45' Ti5 127.3(11) . . . . ?
C55' C51' C52' C53' -3(2) . . . . ?
C56' C51' C52' C53' -174.5(18) . . . . ?
Ti6 C51' C52' C53' 65.9(13) . . . . ?
C55' C51' C52' C57' 171.8(18) . . . . ?
C56' C51' C52' C57' 1(3) . . . . ?
Ti6 C51' C52' C57' -119(2) . . . . ?
C55' C51' C52' Ti6 -69.1(14) . . . . ?
C56' C51' C52' Ti6 119.6(19) . . . . ?
C51' C52' C53' C54' 3(2) . . . . ?
C57' C52' C53' C54' -172.6(15) . . . . ?
Ti6 C52' C53' C54' 68.2(13) . . . . ?
C51' C52' C53' C58' 175(2) . . . . ?
C57' C52' C53' C58' -1(3) . . . . ?
Ti6 C52' C53' C58' -120(2) . . . . ?
C51' C52' C53' Ti6 -64.8(13) . . . . ?
C57' C52' C53' Ti6 119.2(15) . . . . ?
C52' C53' C54' C55' -2(2) . . . . ?
C58' C53' C54' C55' -176.0(16) . . . . ?
Ti6 C53' C54' C55' 62.2(11) . . . . ?
C52' C53' C54' C59' 173.0(14) . . . . ?
C58' C53' C54' C59' -1(3) . . . . ?
Ti6 C53' C54' C59' -122.4(15) . . . . ?
C52' C53' C54' Ti6 -64.6(12) . . . . ?
C58' C53' C54' Ti6 121.8(18) . . . . ?
C52' C51' C55' C54' 2(2) . . . . ?
C56' C51' C55' C54' 172(2) . . . . ?
Ti6 C51' C55' C54' -64.3(11) . . . . ?
C52' C51' C55' C60' -171.3(15) . . . . ?
C56' C51' C55' C60' -1(3) . . . . ?
Ti6 C51' C55' C60' 122.7(14) . . . . ?
C52' C51' C55' Ti6 65.9(14) . . . . ?
C56' C51' C55' Ti6 -124(2) . . . . ?
C53' C54' C55' C51' 0.5(19) . . . . ?
C59' C54' C55' C51' -175.6(13) . . . . ?
Ti6 C54' C55' C51' 60.5(13) . . . . ?
C53' C54' C55' C60' 172.7(17) . . . . ?
C59' C54' C55' C60' -3(2) . . . . ?
Ti6 C54' C55' C60' -127.2(17) . . . . ?
C53' C54' C55' Ti6 -60.0(12) . . . . ?
C59' C54' C55' Ti6 123.9(12) . . . . ?
B32 B25' B26' B29 -79(2) . . . . ?
B35 B25' B26' B29 -164.7(11) . . . . ?
B34' B25' B26' B29 79.0(17) . . . . ?
B31 B25' B26' B29 -5(2) . . . . ?
B30 B25' B26' B29 24.9(15) . . . . ?
Ti6 B25' B26' B29 140.5(15) . . . . ?
Ti5 B25' B26' B29 -39.4(13) . . . . ?
B32 B25' B26' B33 -164.7(11) . . . . ?
B35 B25' B26' B33 110.0(12) . . . . ?
B34' B25' B26' B33 -6.3(15) . . . . ?
B31 B25' B26' B33 -90.7(14) . . . . ?
B30 B25' B26' B33 -60.3(10) . . . . ?
Ti6 B25' B26' B33 55.2(9) . . . . ?
Ti5 B25' B26' B33 -124.7(10) . . . . ?
B32 B25' B26' B36' 79.7(16) . . . . ?
B35 B25' B26' B36' -5.5(15) . . . . ?
B34' B25' B26' B36' -121.8(12) . . . . ?
B31 B25' B26' B36' 153.8(11) . . . . ?
B30 B25' B26' B36' -175.9(10) . . . . ?
Ti6 B25' B26' B36' -60.3(9) . . . . ?
Ti5 B25' B26' B36' 119.8(10) . . . . ?
B32 B25' B26' B28 -6(2) . . . . ?
B35 B25' B26' B28 -91.5(13) . . . . ?
B34' B25' B26' B28 152.1(11) . . . . ?
B31 B25' B26' B28 67.8(18) . . . . ?
B30 B25' B26' B28 98.1(12) . . . . ?
Ti6 B25' B26' B28 -146.3(12) . . . . ?
Ti5 B25' B26' B28 33.7(10) . . . . ?
B32 B25' B26' B27 24.3(15) . . . . ?
B35 B25' B26' B27 -60.9(10) . . . . ?
B34' B25' B26' B27 -177.3(10) . . . . ?
B31 B25' B26' B27 98.4(12) . . . . ?
B30 B25' B26' B27 128.7(7) . . . . ?
Ti6 B25' B26' B27 -115.7(6) . . . . ?
Ti5 B25' B26' B27 64.3(4) . . . . ?
B32 B25' B26' Ti6 140.0(15) . . . . ?
B35 B25' B26' Ti6 54.8(9) . . . . ?
B34' B25' B26' Ti6 -61.5(9) . . . . ?
B31 B25' B26' Ti6 -145.9(13) . . . . ?
B30 B25' B26' Ti6 -115.6(6) . . . . ?
Ti5 B25' B26' Ti6 -179.9(6) . . . . ?
B32 B25' B26' Ti5 -40.0(13) . . . . ?
B35 B25' B26' Ti5 -125.3(10) . . . . ?
B34' B25' B26' Ti5 118.4(10) . . . . ?
B31 B25' B26' Ti5 34.0(11) . . . . ?
B30 B25' B26' Ti5 64.3(4) . . . . ?
Ti6 B25' B26' Ti5 179.9(6) . . . . ?
B32 B25' B34' B34 156.8(11) . . . . ?
B26' B25' B34' B34 -4.2(14) . . . . ?
B35 B25' B34' B34 -125.0(10) . . . . ?
B31 B25' B34' B34 117.8(10) . . . . ?
B30 B25' B34' B34 69.2(9) . . . . ?
Ti6 B25' B34' B34 -62.4(8) . . . . ?
Ti5 B25' B34' B34 70.8(13) . . . . ?
B32 B25' B34' B30 87.6(11) . . . . ?
B26' B25' B34' B30 -73.4(10) . . . . ?
B35 B25' B34' B30 165.8(10) . . . . ?
B31 B25' B34' B30 48.5(5) . . . . ?
Ti6 B25' B34' B30 -131.6(7) . . . . ?
Ti5 B25' B34' B30 1.5(10) . . . . ?
B32 B25' B34' Ti6 -140.8(12) . . . . ?
B26' B25' B34' Ti6 58.2(9) . . . . ?
B35 B25' B34' Ti6 -62.6(7) . . . . ?
B31 B25' B34' Ti6 -179.9(7) . . . . ?
B30 B25' B34' Ti6 131.6(7) . . . . ?
Ti5 B25' B34' Ti6 133.2(10) . . . . ?
B29 B26' B36' B36 156.4(10) . . . . ?
B25' B26' B36' B36 -5.7(14) . . . . ?
B33 B26' B36' B36 -128.4(9) . . . . ?
B28 B26' B36' B36 116.0(9) . . . . ?
B27 B26' B36' B36 67.7(8) . . . . ?
Ti6 B26' B36' B36 -64.1(8) . . . . ?
Ti5 B26' B36' B36 71.2(13) . . . . ?
B29 B26' B36' B27 88.7(11) . . . . ?
B25' B26' B36' B27 -73.5(11) . . . . ?
B33 B26' B36' B27 163.8(9) . . . . ?
B28 B26' B36' B27 48.3(5) . . . . ?
Ti6 B26' B36' B27 -131.9(7) . . . . ?
Ti5 B26' B36' B27 3.4(10) . . . . ?
B29 B26' B36' Ti6 -139.4(11) . . . . ?
B25' B26' B36' Ti6 58.4(9) . . . . ?
B33 B26' B36' Ti6 -64.3(7) . . . . ?
B28 B26' B36' Ti6 -179.8(7) . . . . ?
B27 B26' B36' Ti6 131.9(7) . . . . ?
Ti5 B26' B36' Ti6 135.3(11) . . . . ?
B35 B26 B27 B28 160.7(5) . . . . ?
B32 B26 B27 B28 -119.5(5) . . . . ?
B36 B26 B27 B28 120.5(5) . . . . ?
B25 B26 B27 B28 1.4(6) . . . . ?
Ti5 B26 B27 B28 -55.7(4) . . . . ?
Ti6 B26 B27 B28 77.3(5) . . . . ?
B35 B26 B27 B36 40.2(5) . . . . ?
B32 B26 B27 B36 120.1(5) . . . . ?
B25 B26 B27 B36 -119.1(5) . . . . ?
Ti5 B26 B27 B36 -176.2(4) . . . . ?
Ti6 B26 B27 B36 -43.2(4) . . . . ?
B35 B26 B27 Ti5 -143.6(6) . . . . ?
B32 B26 B27 Ti5 -63.8(4) . . . . ?
B36 B26 B27 Ti5 176.2(4) . . . . ?
B25 B26 B27 Ti5 57.1(4) . . . . ?
Ti6 B26 B27 Ti5 133.0(4) . . . . ?
B26 B27 B28 B29 -1.5(7) . . . . ?
B36' B27 B28 B29 66.4(7) . . . . ?
B36 B27 B28 B29 55.9(7) . . . . ?
B26' B27 B28 B29 14.8(6) . . . . ?
Ti5 B27 B28 B29 -55.0(4) . . . . ?
B36' B27 B28 B26' 51.6(7) . . . . ?
B36 B27 B28 B26' 41.1(7) . . . . ?
Ti5 B27 B28 B26' -69.8(5) . . . . ?
B26 B27 B28 Ti5 53.5(4) . . . . ?
B36' B27 B28 Ti5 121.5(5) . . . . ?
B36 B27 B28 Ti5 110.9(5) . . . . ?
B26' B27 B28 Ti5 69.8(5) . . . . ?
B25' B26' B29 B28 109.0(15) . . . . ?
B33 B26' B29 B28 -144.1(7) . . . . ?
B36' B26' B29 B28 -48.7(10) . . . . ?
B27 B26' B29 B28 12.9(5) . . . . ?
Ti6 B26' B29 B28 -143.7(17) . . . . ?
Ti5 B26' B29 B28 70.4(3) . . . . ?
B25' B26' B29 B33 -106.9(17) . . . . ?
B36' B26' B29 B33 95.4(12) . . . . ?
B28 B26' B29 B33 144.1(7) . . . . ?
B27 B26' B29 B33 157.0(10) . . . . ?
Ti6 B26' B29 B33 0.3(12) . . . . ?
Ti5 B26' B29 B33 -145.6(7) . . . . ?
B25' B26' B29 Ti5 38.7(13) . . . . ?
B33 B26' B29 Ti5 145.6(7) . . . . ?
B36' B26' B29 Ti5 -119.0(12) . . . . ?
B28 B26' B29 Ti5 -70.4(3) . . . . ?
B27 B26' B29 Ti5 -57.5(5) . . . . ?
Ti6 B26' B29 Ti5 145.9(17) . . . . ?
B33 B25 B29 B28 -119.4(4) . . . . ?
B30 B25 B29 B28 120.9(5) . . . . ?
B34 B25 B29 B28 -158.1(5) . . . . ?
B26 B25 B29 B28 0.0(5) . . . . ?
Ti5 B25 B29 B28 56.6(3) . . . . ?
Ti6 B25 B29 B28 -76.1(5) . . . . ?
B30 B25 B29 B33 -119.7(5) . . . . ?
B34 B25 B29 B33 -38.7(5) . . . . ?
B26 B25 B29 B33 119.4(5) . . . . ?
Ti5 B25 B29 B33 176.0(4) . . . . ?
Ti6 B25 B29 B33 43.3(4) . . . . ?
B33 B25 B29 Ti5 -176.0(4) . . . . ?
B30 B25 B29 Ti5 64.3(4) . . . . ?
B34 B25 B29 Ti5 145.3(6) . . . . ?
B26 B25 B29 Ti5 -56.6(4) . . . . ?
Ti6 B25 B29 Ti5 -132.7(4) . . . . ?
B27 B28 B29 B26' -18.2(8) . . . . ?
Ti5 B28 B29 B26' -74.0(6) . . . . ?
B27 B28 B29 B25 1.0(6) . . . . ?
Ti5 B28 B29 B25 -54.9(3) . . . . ?
B27 B28 B29 B33 -52.9(6) . . . . ?
B26' B28 B29 B33 -34.7(7) . . . . ?
Ti5 B28 B29 B33 -108.8(4) . . . . ?
B27 B28 B29 Ti5 55.9(4) . . . . ?
B26' B28 B29 Ti5 74.0(6) . . . . ?
B33 B25 B30 B31 159.8(5) . . . . ?
B29 B25 B30 B31 -120.0(5) . . . . ?
B34 B25 B30 B31 120.0(5) . . . . ?
B26 B25 B30 B31 1.4(6) . . . . ?
Ti5 B25 B30 B31 -55.7(4) . . . . ?
Ti6 B25 B30 B31 76.8(5) . . . . ?
B33 B25 B30 B34 39.8(5) . . . . ?
B29 B25 B30 B34 120.0(5) . . . . ?
B26 B25 B30 B34 -118.7(5) . . . . ?
Ti5 B25 B30 B34 -175.8(4) . . . . ?
Ti6 B25 B30 B34 -43.3(4) . . . . ?
B33 B25 B30 Ti5 -144.4(6) . . . . ?
B29 B25 B30 Ti5 -64.2(4) . . . . ?
B34 B25 B30 Ti5 175.8(4) . . . . ?
B26 B25 B30 Ti5 57.1(4) . . . . ?
Ti6 B25 B30 Ti5 132.5(4) . . . . ?
B34 B34' B30 B31 -166.2(8) . . . . ?
B25' B34' B30 B31 -60.8(7) . . . . ?
Ti6 B34' B30 B31 -108.4(8) . . . . ?
B25' B34' B30 B34 105.4(10) . . . . ?
Ti6 B34' B30 B34 57.8(7) . . . . ?
B34 B34' B30 B25' -105.4(10) . . . . ?
Ti6 B34' B30 B25' -47.6(8) . . . . ?
B34 B34' B30 Ti5 -106.8(7) . . . . ?
B25' B34' B30 Ti5 -1.4(9) . . . . ?
Ti6 B34' B30 Ti5 -49.0(9) . . . . ?
B25 B30 B31 B32 -1.3(7) . . . . ?
B34' B30 B31 B32 66.6(7) . . . . ?
B34 B30 B31 B32 55.7(7) . . . . ?
B25' B30 B31 B32 15.5(7) . . . . ?
Ti5 B30 B31 B32 -54.7(4) . . . . ?
B34' B30 B31 B25' 51.1(8) . . . . ?
B34 B30 B31 B25' 40.2(7) . . . . ?
Ti5 B30 B31 B25' -70.2(5) . . . . ?
B25 B30 B31 Ti5 53.4(4) . . . . ?
B34' B30 B31 Ti5 121.3(6) . . . . ?
B34 B30 B31 Ti5 110.4(5) . . . . ?
B25' B30 B31 Ti5 70.2(5) . . . . ?
B26' B25' B32 B31 109.7(15) . . . . ?
B35 B25' B32 B31 -144.9(7) . . . . ?
B34' B25' B32 B31 -46.3(11) . . . . ?
B30 B25' B32 B31 13.8(6) . . . . ?
Ti6 B25' B32 B31 -146.0(18) . . . . ?
Ti5 B25' B32 B31 70.5(3) . . . . ?
B26' B25' B32 B35 -105.4(16) . . . . ?
B34' B25' B32 B35 98.6(13) . . . . ?
B31 B25' B32 B35 144.9(7) . . . . ?
B30 B25' B32 B35 158.7(11) . . . . ?
Ti6 B25' B32 B35 -1.1(13) . . . . ?
Ti5 B25' B32 B35 -144.5(7) . . . . ?
B26' B25' B32 Ti5 39.2(13) . . . . ?
B35 B25' B32 Ti5 144.5(7) . . . . ?
B34' B25' B32 Ti5 -116.9(12) . . . . ?
B31 B25' B32 Ti5 -70.5(3) . . . . ?
B30 B25' B32 Ti5 -56.8(6) . . . . ?
Ti6 B25' B32 Ti5 143.5(18) . . . . ?
B35 B26 B32 B31 -119.5(5) . . . . ?
B27 B26 B32 B31 120.9(5) . . . . ?
B36 B26 B32 B31 -157.5(5) . . . . ?
B25 B26 B32 B31 0.3(6) . . . . ?
Ti5 B26 B32 B31 56.6(3) . . . . ?
Ti6 B26 B32 B31 -76.0(5) . . . . ?
B27 B26 B32 B35 -119.6(6) . . . . ?
B36 B26 B32 B35 -37.9(5) . . . . ?
B25 B26 B32 B35 119.8(5) . . . . ?
Ti5 B26 B32 B35 176.1(4) . . . . ?
Ti6 B26 B32 B35 43.5(4) . . . . ?
B35 B26 B32 Ti5 -176.1(4) . . . . ?
B27 B26 B32 Ti5 64.3(4) . . . . ?
B36 B26 B32 Ti5 145.9(6) . . . . ?
B25 B26 B32 Ti5 -56.4(4) . . . . ?
Ti6 B26 B32 Ti5 -132.6(4) . . . . ?
B30 B31 B32 B25' -19.4(8) . . . . ?
Ti5 B31 B32 B25' -75.0(7) . . . . ?
B30 B31 B32 B26 0.7(7) . . . . ?
Ti5 B31 B32 B26 -54.9(3) . . . . ?
B30 B31 B32 B35 -53.6(7) . . . . ?
B25' B31 B32 B35 -34.2(7) . . . . ?
Ti5 B31 B32 B35 -109.1(4) . . . . ?
B30 B31 B32 Ti5 55.6(5) . . . . ?
B25' B31 B32 Ti5 75.0(7) . . . . ?
B29 B25 B33 B34 -145.1(4) . . . . ?
B30 B25 B33 B34 -42.0(5) . . . . ?
B26 B25 B33 B34 113.5(6) . . . . ?
Ti5 B25 B33 B34 -151.5(7) . . . . ?
Ti6 B25 B33 B34 73.0(3) . . . . ?
B30 B25 B33 B29 103.1(6) . . . . ?
B34 B25 B33 B29 145.1(4) . . . . ?
B26 B25 B33 B29 -101.4(6) . . . . ?
Ti5 B25 B33 B29 -6.5(6) . . . . ?
Ti6 B25 B33 B29 -142.0(3) . . . . ?
B29 B25 B33 Ti6 142.0(3) . . . . ?
B30 B25 B33 Ti6 -114.9(6) . . . . ?
B34 B25 B33 Ti6 -73.0(3) . . . . ?
B26 B25 B33 Ti6 40.6(5) . . . . ?
Ti5 B25 B33 Ti6 135.5(7) . . . . ?
B29 B26' B33 B34 -115.2(6) . . . . ?
B25' B26' B33 B34 11.1(11) . . . . ?
B36' B26' B33 B34 129.8(9) . . . . ?
B28 B26' B33 B34 -148.8(9) . . . . ?
B27 B26' B33 B34 167(2) . . . . ?
Ti6 B26' B33 B34 65.1(4) . . . . ?
Ti5 B26' B33 B34 -71.3(10) . . . . ?
B25' B26' B33 B29 126.3(14) . . . . ?
B36' B26' B33 B29 -115.0(12) . . . . ?
B28 B26' B33 B29 -33.7(6) . . . . ?
B27 B26' B33 B29 -77(2) . . . . ?
Ti6 B26' B33 B29 -179.8(8) . . . . ?
Ti5 B26' B33 B29 43.8(8) . . . . ?
B29 B26' B33 Ti6 179.8(8) . . . . ?
B25' B26' B33 Ti6 -54.0(9) . . . . ?
B36' B26' B33 Ti6 64.8(9) . . . . ?
B28 B26' B33 Ti6 146.1(11) . . . . ?
B27 B26' B33 Ti6 102(2) . . . . ?
Ti5 B26' B33 Ti6 -136.4(12) . . . . ?
B27 B26 B35 B36 -42.6(5) . . . . ?
B32 B26 B35 B36 -145.6(5) . . . . ?
B25 B26 B35 B36 113.7(6) . . . . ?
Ti5 B26 B35 B36 -151.8(8) . . . . ?
Ti6 B26 B35 B36 72.8(3) . . . . ?
B27 B26 B35 B32 103.0(6) . . . . ?
B36 B26 B35 B32 145.6(5) . . . . ?
B25 B26 B35 B32 -100.6(6) . . . . ?
Ti5 B26 B35 B32 -6.1(6) . . . . ?
Ti6 B26 B35 B32 -141.5(4) . . . . ?
B27 B26 B35 Ti6 -115.4(6) . . . . ?
B32 B26 B35 Ti6 141.5(4) . . . . ?
B36 B26 B35 Ti6 -72.8(3) . . . . ?
B25 B26 B35 Ti6 40.9(5) . . . . ?
Ti5 B26 B35 Ti6 135.4(7) . . . . ?
B32 B25' B35 B36 -115.0(6) . . . . ?
B26' B25' B35 B36 11.4(11) . . . . ?
B34' B25' B35 B36 128.1(10) . . . . ?
B31 B25' B35 B36 -149.0(10) . . . . ?
B30 B25' B35 B36 164(3) . . . . ?
Ti6 B25' B35 B36 64.3(4) . . . . ?
Ti5 B25' B35 B36 -69.4(10) . . . . ?
B26' B25' B35 B32 126.4(14) . . . . ?
B34' B25' B35 B32 -116.9(12) . . . . ?
B31 B25' B35 B32 -34.0(7) . . . . ?
B30 B25' B35 B32 -81(3) . . . . ?
Ti6 B25' B35 B32 179.3(8) . . . . ?
Ti5 B25' B35 B32 45.6(8) . . . . ?
B32 B25' B35 Ti6 -179.3(8) . . . . ?
B26' B25' B35 Ti6 -52.9(9) . . . . ?
B34' B25' B35 Ti6 63.8(9) . . . . ?
B31 B25' B35 Ti6 146.7(12) . . . . ?
B30 B25' B35 Ti6 99(3) . . . . ?
Ti5 B25' B35 Ti6 -133.7(12) . . . . ?
B25' B34' B34 B33 15.4(15) . . . . ?
B30 B34' B34 B33 82.6(9) . . . . ?
Ti6 B34' B34 B33 -42.5(9) . . . . ?
B25' B34' B34 B30 -67.2(8) . . . . ?
Ti6 B34' B34 B30 -125.1(5) . . . . ?
B25' B34' B34 Ti6 57.9(8) . . . . ?
B30 B34' B34 Ti6 125.1(5) . . . . ?
B29 B25 B34 B33 40.6(5) . . . . ?
B30 B25 B34 B33 144.0(5) . . . . ?
B26 B25 B34 B33 -114.9(6) . . . . ?
Ti5 B25 B34 B33 151.0(8) . . . . ?
Ti6 B25 B34 B33 -75.3(3) . . . . ?
B33 B25 B34 B30 -144.0(5) . . . . ?
B29 B25 B34 B30 -103.4(6) . . . . ?
B26 B25 B34 B30 101.1(6) . . . . ?
Ti5 B25 B34 B30 7.0(6) . . . . ?
Ti6 B25 B34 B30 140.7(4) . . . . ?
B33 B25 B34 Ti6 75.3(3) . . . . ?
B29 B25 B34 Ti6 115.9(5) . . . . ?
B30 B25 B34 Ti6 -140.7(4) . . . . ?
B26 B25 B34 Ti6 -39.6(5) . . . . ?
Ti5 B25 B34 Ti6 -133.7(7) . . . . ?
B26' B33 B34 B34' -18.1(12) . . . . ?
B29 B33 B34 B34' -66.3(11) . . . . ?
Ti6 B33 B34 B34' 45.1(10) . . . . ?
B29 B33 B34 B25 -29.8(4) . . . . ?
Ti6 B33 B34 B25 81.6(3) . . . . ?
B25 B33 B34 B30 28.7(4) . . . . ?
B26' B33 B34 B30 47.1(6) . . . . ?
B29 B33 B34 B30 -1.1(5) . . . . ?
Ti6 B33 B34 B30 110.3(3) . . . . ?
B25 B33 B34 Ti6 -81.6(3) . . . . ?
B26' B33 B34 Ti6 -63.2(6) . . . . ?
B29 B33 B34 Ti6 -111.4(3) . . . . ?
B26' B36' B36 B35 17.6(14) . . . . ?
B27 B36' B36 B35 83.2(9) . . . . ?
Ti6 B36' B36 B35 -41.2(8) . . . . ?
B26' B36' B36 B27 -65.6(8) . . . . ?
Ti6 B36' B36 B27 -124.5(5) . . . . ?
B26' B36' B36 Ti6 58.8(7) . . . . ?
B27 B36' B36 Ti6 124.5(5) . . . . ?
B27 B26 B36 B35 143.6(5) . . . . ?
B32 B26 B36 B35 39.8(5) . . . . ?
B25 B26 B36 B35 -115.1(6) . . . . ?
Ti5 B26 B36 B35 150.1(8) . . . . ?
Ti6 B26 B36 B35 -75.4(3) . . . . ?
B35 B26 B36 B27 -143.6(5) . . . . ?
B32 B26 B36 B27 -103.9(6) . . . . ?
B25 B26 B36 B27 101.3(6) . . . . ?
Ti5 B26 B36 B27 6.4(6) . . . . ?
Ti6 B26 B36 B27 140.9(4) . . . . ?
B35 B26 B36 Ti6 75.4(3) . . . . ?
B27 B26 B36 Ti6 -140.9(4) . . . . ?
B32 B26 B36 Ti6 115.2(5) . . . . ?
B25 B26 B36 Ti6 -39.7(5) . . . . ?
Ti5 B26 B36 Ti6 -134.5(7) . . . . ?
B25' B35 B36 B36' -20.4(12) . . . . ?
B32 B35 B36 B36' -67.7(11) . . . . ?
Ti6 B35 B36 B36' 43.4(10) . . . . ?
B32 B35 B36 B26 -29.6(4) . . . . ?
Ti6 B35 B36 B26 81.5(3) . . . . ?
B26 B35 B36 B27 28.7(4) . . . . ?
B25' B35 B36 B27 46.5(6) . . . . ?
B32 B35 B36 B27 -0.9(5) . . . . ?
Ti6 B35 B36 B27 110.2(3) . . . . ?
B26 B35 B36 Ti6 -81.5(3) . . . . ?
B25' B35 B36 Ti6 -63.7(6) . . . . ?
B32 B35 B36 Ti6 -111.1(4) . . . . ?
