#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:01:52 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178799 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/53/4105387.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_4105387
loop_
_publ_author_name
'Swagat K. Mohapatra'
'Susanne Büschel'
'Constantin Daniliuc'
'Peter G. Jones'
'Matthias Tamm'
_publ_section_title
;
 Selective Lithiation and Phosphane-Functionalization of
 [(η7-C7H7)Ti(η5-C5H5)] (Troticene) and Its Use for the Preparation of
 Early-Late Heterobimetallic Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17014
_journal_page_last               17023
_journal_paper_doi               10.1021/ja9080056
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C49 H74 Li4 N6 Ti2'
_chemical_formula_weight         870.70
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.282(2)
_cell_angle_beta                 94.171(4)
_cell_angle_gamma                101.030(2)
_cell_formula_units_Z            2
_cell_length_a                   12.0047(4)
_cell_length_b                   12.0319(4)
_cell_length_c                   17.3320(6)
_cell_measurement_reflns_used    14145
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.1538
_cell_measurement_theta_min      2.0166
_cell_volume                     2450.22(14)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.32 (release 27-01-2009 CrysAlis171 .NET)
(compiled Jan 27 2009,14:17:37)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.32 (release 27-01-2009 CrysAlis171 .NET)
(compiled Jan 27 2009,14:17:37)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.32 (release 27-01-2009 CrysAlis171 .NET)
(compiled Jan 27 2009,14:17:37)
;
_computing_molecular_graphics    'BRUKER XP'
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1419
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Goniometer KM4/Xcalibur, detector: Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_sigmaI/netI    0.1121
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            63649
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    0.364
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'dark blue'
_exptl_crystal_density_diffrn    1.180
_exptl_crystal_description       prism
_exptl_crystal_F_000             932
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.370
_refine_diff_density_min         -0.343
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.764
_refine_ls_hydrogen_treatment
;
The hydrogens of the five- and seven-membered rings were refined freely.
The hydrogens of the methyl groups were refined using rigid groups,
other H atoms were included using a riding model.
;
_refine_ls_matrix_type           full
_refine_ls_number_parameters     641
_refine_ls_number_reflns         11139
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.764
_refine_ls_R_factor_all          0.0745
_refine_ls_R_factor_gt           0.0331
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0197P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0506
_refine_ls_wR_factor_ref         0.0537
_reflns_number_gt                6400
_reflns_number_total             11139
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja9080056_si_001.cif
_cod_data_source_block           swag01
_cod_database_code               4105387
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ti1 Ti 0.29762(2) 0.33353(2) 0.091658(16) 0.01461(8) Uani 1 1 d .
Ti2 Ti 0.33558(2) 0.25095(2) 0.452238(16) 0.01567(8) Uani 1 1 d .
Li1 Li 0.4286(2) 0.5367(2) 0.03658(16) 0.0253(7) Uani 1 1 d .
Li2 Li 0.3115(2) 0.7008(2) 0.09633(15) 0.0187(6) Uani 1 1 d .
Li3 Li 0.5374(2) 0.4182(2) 0.47344(19) 0.0374(8) Uani 1 1 d .
Li4 Li 0.6969(2) 0.3065(2) 0.40620(15) 0.0201(6) Uani 1 1 d .
N1 N 0.22186(10) 0.75390(10) -0.00190(7) 0.0182(3) Uani 1 1 d .
N2 N 0.20038(10) 0.76423(10) 0.16489(7) 0.0174(3) Uani 1 1 d .
N3 N 0.44402(10) 0.82374(10) 0.15162(7) 0.0180(3) Uani 1 1 d .
N4 N 0.80056(10) 0.26398(10) 0.50055(7) 0.0170(3) Uani 1 1 d .
N5 N 0.74883(10) 0.18115(10) 0.33939(7) 0.0171(3) Uani 1 1 d .
N6 N 0.77899(10) 0.42573(10) 0.32814(7) 0.0174(3) Uani 1 1 d .
C1 C 0.43974(14) 0.35449(12) 0.01730(9) 0.0201(4) Uani 1 1 d .
C2 C 0.33407(15) 0.32897(14) -0.02928(10) 0.0234(4) Uani 1 1 d .
H2 H 0.3239(12) 0.3781(12) -0.0685(8) 0.023(5) Uiso 1 1 d .
C3 C 0.23217(15) 0.24746(14) -0.02003(10) 0.0243(4) Uani 1 1 d .
H3 H 0.1681(13) 0.2558(11) -0.0521(8) 0.025(5) Uiso 1 1 d .
C4 C 0.21248(15) 0.16738(13) 0.03907(10) 0.0239(4) Uani 1 1 d .
H4 H 0.1360(12) 0.1286(11) 0.0398(8) 0.014(4) Uiso 1 1 d .
C5 C 0.28660(15) 0.14867(13) 0.10299(11) 0.0225(4) Uani 1 1 d .
H5 H 0.2525(12) 0.1018(11) 0.1409(8) 0.018(4) Uiso 1 1 d .
C6 C 0.40033(15) 0.20378(13) 0.12343(10) 0.0220(4) Uani 1 1 d .
H6 H 0.4314(12) 0.1834(11) 0.1709(8) 0.018(4) Uiso 1 1 d .
C7 C 0.46681(14) 0.29443(13) 0.08467(10) 0.0207(4) Uani 1 1 d .
H7 H 0.5329(11) 0.3238(10) 0.1129(7) 0.002(4) Uiso 1 1 d .
C8 C 0.29266(12) 0.52171(11) 0.11397(9) 0.0150(4) Uani 1 1 d .
C9 C 0.32667(14) 0.47414(12) 0.18548(9) 0.0169(4) Uani 1 1 d .
H9 H 0.3994(12) 0.4938(11) 0.2107(8) 0.016(4) Uiso 1 1 d .
C10 C 0.24029(14) 0.38861(13) 0.21078(10) 0.0182(4) Uani 1 1 d .
H10 H 0.2449(11) 0.3479(11) 0.2525(8) 0.012(4) Uiso 1 1 d .
C11 C 0.14683(14) 0.38007(13) 0.15686(10) 0.0198(4) Uani 1 1 d .
H11 H 0.0728(12) 0.3268(11) 0.1576(7) 0.014(4) Uiso 1 1 d .
C12 C 0.17789(14) 0.45994(12) 0.09872(10) 0.0178(4) Uani 1 1 d .
H12 H 0.1267(11) 0.4662(10) 0.0533(8) 0.011(4) Uiso 1 1 d .
C13 C 0.19526(14) 0.66730(13) -0.06437(9) 0.0275(4) Uani 1 1 d .
H13A H 0.1590 0.5950 -0.0433 0.041 Uiso 1 1 calc R
H13B H 0.2657 0.6583 -0.0868 0.041 Uiso 1 1 calc R
H13C H 0.1434 0.6910 -0.1045 0.041 Uiso 1 1 calc R
C14 C 0.28065(14) 0.85945(13) -0.03452(9) 0.0277(4) Uani 1 1 d .
H14A H 0.2328 0.8815 -0.0778 0.042 Uiso 1 1 calc R
H14B H 0.3529 0.8479 -0.0530 0.042 Uiso 1 1 calc R
H14C H 0.2955 0.9194 0.0055 0.042 Uiso 1 1 calc R
C15 C 0.11577(13) 0.76792(14) 0.03159(10) 0.0262(4) Uani 1 1 d .
H15A H 0.0673 0.6925 0.0376 0.031 Uiso 1 1 calc R
H15B H 0.0735 0.8118 -0.0042 0.031 Uiso 1 1 calc R
C16 C 0.13972(14) 0.82837(13) 0.10951(9) 0.0256(4) Uani 1 1 d .
H16A H 0.1864 0.9047 0.1034 0.031 Uiso 1 1 calc R
H16B H 0.0670 0.8377 0.1299 0.031 Uiso 1 1 calc R
C17 C 0.11951(13) 0.67896(12) 0.20359(9) 0.0261(4) Uani 1 1 d .
H17A H 0.0744 0.7171 0.2362 0.039 Uiso 1 1 calc R
H17B H 0.1615 0.6317 0.2358 0.039 Uiso 1 1 calc R
H17C H 0.0687 0.6313 0.1646 0.039 Uiso 1 1 calc R
C18 C 0.27535(13) 0.83846(13) 0.22297(9) 0.0249(4) Uani 1 1 d .
H18A H 0.2961 0.7923 0.2669 0.030 Uiso 1 1 calc R
H18B H 0.2335 0.8944 0.2430 0.030 Uiso 1 1 calc R
C19 C 0.38309(13) 0.90070(12) 0.19002(9) 0.0237(4) Uani 1 1 d .
H19A H 0.3632 0.9566 0.1523 0.028 Uiso 1 1 calc R
H19B H 0.4340 0.9427 0.2324 0.028 Uiso 1 1 calc R
C20 C 0.49789(13) 0.75676(13) 0.20851(9) 0.0271(4) Uani 1 1 d .
H20A H 0.5509 0.8078 0.2445 0.041 Uiso 1 1 calc R
H20B H 0.5395 0.7075 0.1817 0.041 Uiso 1 1 calc R
H20C H 0.4392 0.7103 0.2373 0.041 Uiso 1 1 calc R
C21 C 0.53352(13) 0.89089(12) 0.10766(10) 0.0263(4) Uani 1 1 d .
H21A H 0.4990 0.9379 0.0705 0.039 Uiso 1 1 calc R
H21B H 0.5718 0.8397 0.0798 0.039 Uiso 1 1 calc R
H21C H 0.5891 0.9396 0.1435 0.039 Uiso 1 1 calc R
C22 C 0.35778(14) 0.42250(13) 0.50094(11) 0.0288(5) Uani 1 1 d .
C23 C 0.37138(17) 0.34500(18) 0.56134(12) 0.0359(5) Uani 1 1 d .
H23 H 0.4366(14) 0.3612(13) 0.5936(9) 0.039(5) Uiso 1 1 d .
C24 C 0.30884(18) 0.23584(18) 0.57684(11) 0.0375(5) Uani 1 1 d .
H24 H 0.3446(15) 0.1922(14) 0.6148(10) 0.051(6) Uiso 1 1 d .
C25 C 0.20956(17) 0.17782(16) 0.53484(12) 0.0329(5) Uani 1 1 d .
H25 H 0.1881(14) 0.1032(14) 0.5478(10) 0.047(6) Uiso 1 1 d .
C26 C 0.15056(15) 0.21171(15) 0.46831(12) 0.0284(5) Uani 1 1 d .
H26 H 0.0936(13) 0.1540(13) 0.4445(9) 0.038(5) Uiso 1 1 d .
C27 C 0.17483(14) 0.31285(15) 0.42641(11) 0.0256(4) Uani 1 1 d .
H27 H 0.1308(13) 0.3130(12) 0.3779(9) 0.031(5) Uiso 1 1 d .
C28 C 0.26690(15) 0.40593(14) 0.44230(11) 0.0260(4) Uani 1 1 d .
H28 H 0.2680(12) 0.4583(12) 0.4007(8) 0.026(5) Uiso 1 1 d .
C29 C 0.51723(12) 0.25682(12) 0.41436(9) 0.0164(4) Uani 1 1 d .
C30 C 0.47608(13) 0.14669(13) 0.44525(10) 0.0193(4) Uani 1 1 d .
H30 H 0.5070(11) 0.1174(10) 0.4938(8) 0.011(4) Uiso 1 1 d .
C31 C 0.38168(13) 0.08622(13) 0.39924(10) 0.0192(4) Uani 1 1 d .
H31 H 0.3394(11) 0.0139(11) 0.4087(8) 0.016(4) Uiso 1 1 d .
C32 C 0.36017(13) 0.15520(13) 0.33729(10) 0.0185(4) Uani 1 1 d .
H32 H 0.3023(12) 0.1386(11) 0.2977(8) 0.015(4) Uiso 1 1 d .
C33 C 0.44189(13) 0.25671(13) 0.34613(9) 0.0168(4) Uani 1 1 d .
H33 H 0.4426(11) 0.3150(11) 0.3116(8) 0.013(4) Uiso 1 1 d .
C34 C 0.74148(14) 0.25346(13) 0.57229(9) 0.0253(4) Uani 1 1 d .
H34A H 0.7843 0.2168 0.6115 0.038 Uiso 1 1 calc R
H34B H 0.6650 0.2077 0.5620 0.038 Uiso 1 1 calc R
H34C H 0.7357 0.3289 0.5912 0.038 Uiso 1 1 calc R
C35 C 0.91068(13) 0.33932(12) 0.51647(9) 0.0242(4) Uani 1 1 d .
H35A H 0.8989 0.4142 0.5324 0.036 Uiso 1 1 calc R
H35B H 0.9525 0.3461 0.4697 0.036 Uiso 1 1 calc R
H35C H 0.9546 0.3082 0.5581 0.036 Uiso 1 1 calc R
C36 C 0.81499(13) 0.15099(12) 0.47407(9) 0.0212(4) Uani 1 1 d .
H36A H 0.7441 0.0954 0.4802 0.025 Uiso 1 1 calc R
H36B H 0.8771 0.1271 0.5067 0.025 Uiso 1 1 calc R
C37 C 0.84281(13) 0.15149(13) 0.38998(9) 0.0198(4) Uani 1 1 d .
H37A H 0.9137 0.2071 0.3836 0.024 Uiso 1 1 calc R
H37B H 0.8555 0.0757 0.3748 0.024 Uiso 1 1 calc R
C38 C 0.66240(13) 0.07912(12) 0.31817(9) 0.0258(4) Uani 1 1 d .
H38A H 0.6946 0.0292 0.2849 0.039 Uiso 1 1 calc R
H38B H 0.5963 0.1012 0.2903 0.039 Uiso 1 1 calc R
H38C H 0.6388 0.0391 0.3652 0.039 Uiso 1 1 calc R
C39 C 0.78844(14) 0.23924(12) 0.26916(9) 0.0228(4) Uani 1 1 d .
H39A H 0.7225 0.2394 0.2314 0.027 Uiso 1 1 calc R
H39B H 0.8410 0.1974 0.2453 0.027 Uiso 1 1 calc R
C40 C 0.84895(13) 0.36030(12) 0.28703(9) 0.0216(4) Uani 1 1 d .
H40A H 0.9205 0.3595 0.3191 0.026 Uiso 1 1 calc R
H40B H 0.8692 0.3982 0.2380 0.026 Uiso 1 1 calc R
C41 C 0.68827(13) 0.45585(13) 0.27540(9) 0.0251(4) Uani 1 1 d .
H41A H 0.6465 0.5041 0.3030 0.038 Uiso 1 1 calc R
H41B H 0.6359 0.3867 0.2566 0.038 Uiso 1 1 calc R
H41C H 0.7219 0.4968 0.2314 0.038 Uiso 1 1 calc R
C42 C 0.85170(13) 0.53043(12) 0.36096(9) 0.0241(4) Uani 1 1 d .
H42A H 0.9109 0.5110 0.3975 0.036 Uiso 1 1 calc R
H42B H 0.8052 0.5745 0.3880 0.036 Uiso 1 1 calc R
H42C H 0.8873 0.5754 0.3192 0.036 Uiso 1 1 calc R
C43 C 0.02745(13) 0.09686(13) 0.70076(9) 0.0219(4) Uani 1 1 d .
H43 H 0.0296 0.1496 0.6600 0.026 Uiso 1 1 calc R
C44 C -0.05414(13) -0.00140(13) 0.69591(10) 0.0252(4) Uani 1 1 d .
H44 H -0.1082 -0.0152 0.6525 0.030 Uiso 1 1 calc R
C45 C -0.05716(13) -0.07940(13) 0.75410(10) 0.0263(4) Uani 1 1 d .
H45 H -0.1128 -0.1473 0.7508 0.032 Uiso 1 1 calc R
C46 C 0.02080(13) -0.05820(13) 0.81681(10) 0.0232(4) Uani 1 1 d .
H46 H 0.0190 -0.1121 0.8568 0.028 Uiso 1 1 calc R
C47 C 0.10197(13) 0.04045(12) 0.82259(9) 0.0188(4) Uani 1 1 d .
H47 H 0.1550 0.0541 0.8666 0.023 Uiso 1 1 calc R
C48 C 0.10648(12) 0.11981(12) 0.76432(9) 0.0176(4) Uani 1 1 d .
C49 C 0.19090(13) 0.22903(12) 0.77141(9) 0.0269(4) Uani 1 1 d .
H49A H 0.1530 0.2899 0.7870 0.040 Uiso 1 1 calc R
H49B H 0.2227 0.2467 0.7214 0.040 Uiso 1 1 calc R
H49C H 0.2523 0.2220 0.8104 0.040 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C2 Ti1 C7 71.09(7) . .
C2 Ti1 C1 38.35(6) . .
C7 Ti1 C1 38.08(6) . .
C2 Ti1 C3 38.15(6) . .
C7 Ti1 C3 93.19(6) . .
C1 Ti1 C3 72.79(6) . .
C2 Ti1 C5 92.53(6) . .
C7 Ti1 C5 70.96(6) . .
C1 Ti1 C5 94.24(6) . .
C3 Ti1 C5 70.43(7) . .
C2 Ti1 C6 92.75(7) . .
C7 Ti1 C6 37.80(6) . .
C1 Ti1 C6 72.14(6) . .
C3 Ti1 C6 92.52(7) . .
C5 Ti1 C6 37.34(6) . .
C2 Ti1 C4 70.89(6) . .
C7 Ti1 C4 92.58(6) . .
C1 Ti1 C4 94.31(6) . .
C3 Ti1 C4 37.13(6) . .
C5 Ti1 C4 37.24(6) . .
C6 Ti1 C4 70.46(6) . .
C2 Ti1 C12 105.34(6) . .
C7 Ti1 C12 151.58(6) . .
C1 Ti1 C12 123.83(6) . .
C3 Ti1 C12 100.45(6) . .
C5 Ti1 C12 137.17(6) . .
C6 Ti1 C12 161.81(6) . .
C4 Ti1 C12 113.29(6) . .
C2 Ti1 C9 133.87(6) . .
C7 Ti1 C9 103.16(6) . .
C1 Ti1 C9 110.98(6) . .
C3 Ti1 C9 157.10(6) . .
C5 Ti1 C9 129.98(6) . .
C6 Ti1 C9 110.23(6) . .
C4 Ti1 C9 153.86(6) . .
C12 Ti1 C9 58.08(6) . .
C2 Ti1 C8 103.23(6) . .
C7 Ti1 C8 115.57(6) . .
C1 Ti1 C8 99.16(5) . .
C3 Ti1 C8 121.71(6) . .
C5 Ti1 C8 164.15(6) . .
C6 Ti1 C8 141.17(6) . .
C4 Ti1 C8 148.23(6) . .
C12 Ti1 C8 36.48(5) . .
C9 Ti1 C8 36.23(5) . .
C2 Ti1 C10 162.79(6) . .
C7 Ti1 C10 120.21(6) . .
C1 Ti1 C10 143.99(6) . .
C3 Ti1 C10 142.73(6) . .
C5 Ti1 C10 103.34(6) . .
C6 Ti1 C10 103.89(6) . .
C4 Ti1 C10 118.62(6) . .
C12 Ti1 C10 58.27(6) . .
C9 Ti1 C10 35.24(5) . .
C8 Ti1 C10 60.81(5) . .
C2 Ti1 C11 134.08(7) . .
C7 Ti1 C11 154.46(6) . .
C1 Ti1 C11 158.78(6) . .
C3 Ti1 C11 110.22(6) . .
C5 Ti1 C11 106.63(6) . .
C6 Ti1 C11 127.54(6) . .
C4 Ti1 C11 99.96(6) . .
C12 Ti1 C11 35.44(5) . .
C9 Ti1 C11 57.97(6) . .
C8 Ti1 C11 60.87(5) . .
C10 Ti1 C11 34.45(5) . .
C23 Ti2 C28 70.80(7) . .
C23 Ti2 C22 38.21(7) . .
C28 Ti2 C22 37.94(6) . .
C23 Ti2 C24 37.81(7) . .
C28 Ti2 C24 93.03(7) . .
C22 Ti2 C24 72.48(7) . .
C23 Ti2 C27 92.40(7) . .
C28 Ti2 C27 37.82(6) . .
C22 Ti2 C27 71.99(7) . .
C24 Ti2 C27 92.57(7) . .
C23 Ti2 C26 91.70(7) . .
C28 Ti2 C26 70.61(7) . .
C22 Ti2 C26 93.54(6) . .
C24 Ti2 C26 70.28(8) . .
C27 Ti2 C26 37.17(6) . .
C23 Ti2 C25 70.31(8) . .
C28 Ti2 C25 92.20(7) . .
C22 Ti2 C25 93.71(7) . .
C24 Ti2 C25 37.12(7) . .
C27 Ti2 C25 70.29(7) . .
C26 Ti2 C25 37.09(7) . .
C23 Ti2 C30 106.33(7) . .
C28 Ti2 C30 153.84(6) . .
C22 Ti2 C30 125.83(6) . .
C24 Ti2 C30 99.62(7) . .
C27 Ti2 C30 160.80(6) . .
C26 Ti2 C30 135.29(6) . .
C25 Ti2 C30 111.65(7) . .
C23 Ti2 C33 130.30(7) . .
C28 Ti2 C33 102.95(6) . .
C22 Ti2 C33 108.50(6) . .
C24 Ti2 C33 154.22(7) . .
C27 Ti2 C33 112.48(6) . .
C26 Ti2 C33 134.08(7) . .
C25 Ti2 C33 157.49(6) . .
C30 Ti2 C33 58.12(6) . .
C23 Ti2 C29 101.24(6) . .
C28 Ti2 C29 117.48(6) . .
C22 Ti2 C29 99.19(6) . .
C24 Ti2 C29 118.15(7) . .
C27 Ti2 C29 144.45(6) . .
C26 Ti2 C29 166.41(6) . .
C25 Ti2 C29 145.24(7) . .
C30 Ti2 C29 36.50(5) . .
C33 Ti2 C29 36.22(5) . .
C23 Ti2 C31 136.67(7) . .
C28 Ti2 C31 152.16(7) . .
C22 Ti2 C31 159.72(6) . .
C24 Ti2 C31 112.48(7) . .
C27 Ti2 C31 125.82(6) . .
C26 Ti2 C31 106.67(6) . .
C25 Ti2 C31 101.43(6) . .
C30 Ti2 C31 35.33(5) . .
C33 Ti2 C31 58.07(6) . .
C29 Ti2 C31 60.82(5) . .
C23 Ti2 C32 161.74(7) . .
C28 Ti2 C32 118.20(7) . .
C22 Ti2 C32 140.64(6) . .
C24 Ti2 C32 146.09(7) . .
C27 Ti2 C32 104.03(6) . .
C26 Ti2 C32 106.18(6) . .
C25 Ti2 C32 122.52(6) . .
C30 Ti2 C32 58.15(6) . .
C33 Ti2 C32 35.20(5) . .
C29 Ti2 C32 60.67(5) . .
C31 Ti2 C32 34.51(5) . .
C1 Li1 C8 147.30(14) 2_665 .
C1 Li1 C1 110.57(12) 2_665 .
C8 Li1 C1 101.70(11) . .
C1 Li1 Li1 57.58(11) 2_665 2_665
C8 Li1 Li1 154.25(18) . 2_665
C1 Li1 Li1 52.99(10) . 2_665
C1 Li1 Ti1 159.51(13) 2_665 .
C8 Li1 Ti1 52.62(7) . .
C1 Li1 Ti1 49.12(6) . .
Li1 Li1 Ti1 102.06(13) 2_665 .
C1 Li1 Li2 100.05(11) 2_665 .
C8 Li1 Li2 48.15(8) . .
C1 Li1 Li2 149.29(13) . .
Li1 Li1 Li2 157.53(17) 2_665 .
Ti1 Li1 Li2 100.37(10) . .
N2 Li2 N1 88.03(11) . .
N2 Li2 N3 86.97(10) . .
N1 Li2 N3 116.55(12) . .
N2 Li2 C8 108.61(12) . .
N1 Li2 C8 117.42(13) . .
N3 Li2 C8 123.97(13) . .
N2 Li2 Li1 157.22(13) . .
N1 Li2 Li1 104.44(12) . .
N3 Li2 Li1 103.67(11) . .
C8 Li2 Li1 48.76(8) . .
C22 Li3 C29 147.01(16) 2_666 .
C22 Li3 C22 109.75(13) 2_666 .
C29 Li3 C22 102.06(12) . .
C22 Li3 Li3 57.56(11) 2_666 2_666
C29 Li3 Li3 153.0(2) . 2_666
C22 Li3 Li3 52.19(11) . 2_666
C22 Li3 Ti2 158.83(14) 2_666 .
C29 Li3 Ti2 53.04(7) . .
C22 Li3 Ti2 49.27(7) . .
Li3 Li3 Ti2 101.40(15) 2_666 .
C22 Li3 Li4 99.61(12) 2_666 .
C29 Li3 Li4 48.20(8) . .
C22 Li3 Li4 150.25(14) . .
Li3 Li3 Li4 156.73(19) 2_666 .
Ti2 Li3 Li4 101.11(10) . .
N4 Li4 N5 88.55(11) . .
N4 Li4 N6 116.12(12) . .
N5 Li4 N6 86.52(11) . .
N4 Li4 C29 115.86(13) . .
N5 Li4 C29 107.39(12) . .
N6 Li4 C29 126.28(14) . .
N4 Li4 Li3 105.03(12) . .
N5 Li4 Li3 155.70(13) . .
N6 Li4 Li3 104.63(12) . .
C29 Li4 Li3 48.62(9) . .
C14 N1 C13 108.11(12) . .
C14 N1 C15 112.02(12) . .
C13 N1 C15 109.46(12) . .
C14 N1 Li2 113.66(11) . .
C13 N1 Li2 112.96(11) . .
C15 N1 Li2 100.50(11) . .
C17 N2 C16 110.75(12) . .
C17 N2 C18 110.03(12) . .
C16 N2 C18 112.32(12) . .
C17 N2 Li2 115.80(11) . .
C16 N2 Li2 102.98(11) . .
C18 N2 Li2 104.72(11) . .
C20 N3 C19 110.94(12) . .
C20 N3 C21 108.56(12) . .
C19 N3 C21 109.21(11) . .
C20 N3 Li2 102.62(11) . .
C19 N3 Li2 103.63(11) . .
C21 N3 Li2 121.55(12) . .
C35 N4 C34 108.05(12) . .
C35 N4 C36 110.95(12) . .
C34 N4 C36 109.72(11) . .
C35 N4 Li4 116.18(11) . .
C34 N4 Li4 111.84(12) . .
C36 N4 Li4 99.82(11) . .
C39 N5 C38 109.93(12) . .
C39 N5 C37 112.59(12) . .
C38 N5 C37 110.44(12) . .
C39 N5 Li4 104.87(11) . .
C38 N5 Li4 116.69(12) . .
C37 N5 Li4 102.11(11) . .
C41 N6 C40 110.94(12) . .
C41 N6 C42 108.96(12) . .
C40 N6 C42 109.32(12) . .
C41 N6 Li4 106.36(11) . .
C40 N6 Li4 103.15(11) . .
C42 N6 Li4 117.95(12) . .
C7 C1 C2 124.69(14) . .
C7 C1 Li1 119.84(14) . 2_665
C2 C1 Li1 113.85(14) . 2_665
C7 C1 Ti1 70.68(9) . .
C2 C1 Ti1 70.27(9) . .
Li1 C1 Ti1 149.25(10) 2_665 .
C7 C1 Li1 115.91(13) . .
C2 C1 Li1 93.86(12) . .
Li1 C1 Li1 69.43(12) 2_665 .
Ti1 C1 Li1 79.99(8) . .
C1 C2 C3 131.18(16) . .
C1 C2 Ti1 71.39(9) . .
C3 C2 Ti1 72.26(10) . .
C4 C3 C2 127.38(17) . .
C4 C3 Ti1 71.88(10) . .
C2 C3 Ti1 69.58(10) . .
C3 C4 C5 128.88(16) . .
C3 C4 Ti1 70.99(9) . .
C5 C4 Ti1 71.06(9) . .
C4 C5 C6 129.15(17) . .
C4 C5 Ti1 71.70(9) . .
C6 C5 Ti1 71.40(9) . .
C5 C6 C7 127.69(17) . .
C5 C6 Ti1 71.26(10) . .
C7 C6 Ti1 69.85(9) . .
C6 C7 C1 130.93(16) . .
C6 C7 Ti1 72.35(10) . .
C1 C7 Ti1 71.23(9) . .
C9 C8 C12 101.79(13) . .
C9 C8 Li2 123.25(12) . .
C12 C8 Li2 113.97(13) . .
C9 C8 Li1 109.69(13) . .
C12 C8 Li1 126.48(13) . .
Li2 C8 Li1 83.08(11) . .
C9 C8 Ti1 71.61(8) . .
C12 C8 Ti1 71.17(8) . .
Li2 C8 Ti1 160.17(10) . .
Li1 C8 Ti1 79.07(8) . .
C10 C9 C8 112.21(15) . .
C10 C9 Ti1 74.46(9) . .
C8 C9 Ti1 72.15(9) . .
C11 C10 C9 107.12(15) . .
C11 C10 Ti1 72.80(9) . .
C9 C10 Ti1 70.30(9) . .
C10 C11 C12 107.24(14) . .
C10 C11 Ti1 72.75(9) . .
C12 C11 Ti1 69.85(9) . .
C11 C12 C8 111.63(15) . .
C11 C12 Ti1 74.70(9) . .
C8 C12 Ti1 72.35(8) . .
N1 C15 C16 111.50(13) . .
N2 C16 C15 110.92(13) . .
N2 C18 C19 112.33(12) . .
N3 C19 C18 112.42(12) . .
C28 C22 C23 124.70(16) . .
C28 C22 Li3 122.78(16) . 2_666
C23 C22 Li3 110.66(16) . 2_666
C28 C22 Ti2 70.80(9) . .
C23 C22 Ti2 70.30(10) . .
Li3 C22 Ti2 149.53(11) 2_666 .
C28 C22 Li3 121.38(15) . .
C23 C22 Li3 87.73(14) . .
Li3 C22 Li3 70.25(13) 2_666 .
Ti2 C22 Li3 79.45(9) . .
C24 C23 C22 131.88(18) . .
C24 C23 Ti2 72.55(11) . .
C22 C23 Ti2 71.49(10) . .
C25 C24 C23 126.69(19) . .
C25 C24 Ti2 71.86(11) . .
C23 C24 Ti2 69.64(11) . .
C24 C25 C26 129.16(18) . .
C24 C25 Ti2 71.02(11) . .
C26 C25 Ti2 71.39(10) . .
C25 C26 C27 129.33(17) . .
C25 C26 Ti2 71.51(10) . .
C27 C26 Ti2 71.27(10) . .
C26 C27 C28 127.30(18) . .
C26 C27 Ti2 71.57(10) . .
C28 C27 Ti2 69.80(10) . .
C22 C28 C27 130.85(17) . .
C22 C28 Ti2 71.26(9) . .
C27 C28 Ti2 72.38(10) . .
C33 C29 C30 101.95(13) . .
C33 C29 Li4 119.24(13) . .
C30 C29 Li4 117.40(13) . .
C33 C29 Li3 108.80(13) . .
C30 C29 Li3 127.00(14) . .
Li4 C29 Li3 83.18(11) . .
C33 C29 Ti2 71.75(8) . .
C30 C29 Ti2 71.18(8) . .
Li4 C29 Ti2 161.38(10) . .
Li3 C29 Ti2 78.81(9) . .
C31 C30 C29 111.69(15) . .
C31 C30 Ti2 74.69(9) . .
C29 C30 Ti2 72.32(9) . .
C32 C31 C30 107.20(14) . .
C32 C31 Ti2 72.93(9) . .
C30 C31 Ti2 69.98(9) . .
C31 C32 C33 107.23(15) . .
C31 C32 Ti2 72.56(9) . .
C33 C32 Ti2 70.31(9) . .
C32 C33 C29 111.92(15) . .
C32 C33 Ti2 74.49(9) . .
C29 C33 Ti2 72.03(9) . .
N4 C36 C37 111.57(12) . .
N5 C37 C36 110.51(12) . .
N5 C39 C40 111.51(12) . .
N6 C40 C39 112.55(12) . .
C44 C43 C48 121.06(15) . .
C45 C44 C43 120.03(16) . .
C46 C45 C44 119.49(15) . .
C45 C46 C47 120.89(15) . .
C46 C47 C48 120.36(15) . .
C47 C48 C43 118.15(14) . .
C47 C48 C49 120.85(14) . .
C43 C48 C49 120.96(14) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ti1 C2 2.1747(17) .
Ti1 C7 2.1823(17) .
Ti1 C1 2.1895(15) .
Ti1 C3 2.2101(17) .
Ti1 C5 2.2133(16) .
Ti1 C6 2.2151(17) .
Ti1 C4 2.2217(16) .
Ti1 C12 2.2922(15) .
Ti1 C9 2.3007(15) .
Ti1 C8 2.3078(14) .
Ti1 C10 2.3544(16) .
Ti1 C11 2.3551(16) .
Ti2 C23 2.1715(18) .
Ti2 C28 2.1811(17) .
Ti2 C22 2.1871(15) .
Ti2 C24 2.2096(19) .
Ti2 C27 2.2151(17) .
Ti2 C26 2.2190(17) .
Ti2 C25 2.2206(18) .
Ti2 C30 2.2958(16) .
Ti2 C33 2.3074(16) .
Ti2 C29 2.3110(15) .
Ti2 C31 2.3568(15) .
Ti2 C32 2.3615(15) .
Li1 C1 2.125(3) 2_665
Li1 C8 2.169(3) .
Li1 C1 2.247(3) .
Li1 Li1 2.492(5) 2_665
Li1 Li2 2.863(4) .
Li2 N2 2.094(3) .
Li2 N1 2.115(3) .
Li2 N3 2.122(3) .
Li2 C8 2.149(3) .
Li3 C22 2.108(3) 2_666
Li3 C29 2.154(3) .
Li3 C22 2.252(3) .
Li3 Li3 2.511(5) 2_666
Li3 Li4 2.851(4) .
Li4 N4 2.107(3) .
Li4 N5 2.109(3) .
Li4 N6 2.129(3) .
Li4 C29 2.140(3) .
N1 C14 1.4672(17) .
N1 C13 1.4735(18) .
N1 C15 1.4753(18) .
N2 C17 1.4715(17) .
N2 C16 1.4724(18) .
N2 C18 1.4741(18) .
N3 C20 1.4677(18) .
N3 C19 1.4695(18) .
N3 C21 1.4767(18) .
N4 C35 1.4600(17) .
N4 C34 1.4699(18) .
N4 C36 1.4780(17) .
N5 C39 1.4703(18) .
N5 C38 1.4736(17) .
N5 C37 1.4771(18) .
N6 C41 1.4704(18) .
N6 C40 1.4722(18) .
N6 C42 1.4740(17) .
C1 C7 1.426(2) .
C1 C2 1.433(2) .
C1 Li1 2.125(3) 2_665
C2 C3 1.434(2) .
C3 C4 1.411(2) .
C4 C5 1.416(2) .
C5 C6 1.418(2) .
C6 C7 1.425(2) .
C8 C9 1.433(2) .
C8 C12 1.440(2) .
C9 C10 1.410(2) .
C10 C11 1.395(2) .
C11 C12 1.416(2) .
C15 C16 1.513(2) .
C18 C19 1.517(2) .
C22 C28 1.420(2) .
C22 C23 1.427(3) .
C22 Li3 2.108(3) 2_666
C23 C24 1.420(3) .
C24 C25 1.410(3) .
C25 C26 1.412(3) .
C26 C27 1.413(2) .
C27 C28 1.425(2) .
C29 C33 1.435(2) .
C29 C30 1.443(2) .
C30 C31 1.413(2) .
C31 C32 1.400(2) .
C32 C33 1.413(2) .
C36 C37 1.518(2) .
C39 C40 1.5176(18) .
C43 C44 1.381(2) .
C43 C48 1.391(2) .
C44 C45 1.379(2) .
C45 C46 1.371(2) .
C46 C47 1.382(2) .
C47 C48 1.390(2) .
C48 C49 1.4966(19) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C2 Ti1 Li1 C1 -51.5(4) . 2_665
C7 Ti1 Li1 C1 23.9(4) . 2_665
C1 Ti1 Li1 C1 -8.6(4) . 2_665
C3 Ti1 Li1 C1 -67.0(4) . 2_665
C5 Ti1 Li1 C1 2.7(5) . 2_665
C6 Ti1 Li1 C1 30.0(4) . 2_665
C4 Ti1 Li1 C1 -55.3(4) . 2_665
C12 Ti1 Li1 C1 -165.6(4) . 2_665
C9 Ti1 Li1 C1 134.0(4) . 2_665
C8 Ti1 Li1 C1 168.8(4) . 2_665
C10 Ti1 Li1 C1 142.1(4) . 2_665
C11 Ti1 Li1 C1 177.7(4) . 2_665
C2 Ti1 Li1 C8 139.70(11) . .
C7 Ti1 Li1 C8 -144.85(10) . .
C1 Ti1 Li1 C8 -177.41(13) . .
C3 Ti1 Li1 C8 124.24(8) . .
C5 Ti1 Li1 C8 -166.12(10) . .
C6 Ti1 Li1 C8 -138.76(8) . .
C4 Ti1 Li1 C8 135.91(9) . .
C12 Ti1 Li1 C8 25.60(8) . .
C9 Ti1 Li1 C8 -34.79(7) . .
C10 Ti1 Li1 C8 -26.66(9) . .
C11 Ti1 Li1 C8 8.95(10) . .
C2 Ti1 Li1 C1 -42.89(8) . .
C7 Ti1 Li1 C1 32.56(8) . .
C3 Ti1 Li1 C1 -58.35(9) . .
C5 Ti1 Li1 C1 11.30(16) . .
C6 Ti1 Li1 C1 38.65(10) . .
C4 Ti1 Li1 C1 -46.67(13) . .
C12 Ti1 Li1 C1 -156.98(9) . .
C9 Ti1 Li1 C1 142.62(10) . .
C8 Ti1 Li1 C1 177.41(13) . .
C10 Ti1 Li1 C1 150.75(8) . .
C11 Ti1 Li1 C1 -173.63(8) . .
C2 Ti1 Li1 Li1 -45.51(14) . 2_665
C7 Ti1 Li1 Li1 29.93(14) . 2_665
C1 Ti1 Li1 Li1 -2.63(12) . 2_665
C3 Ti1 Li1 Li1 -60.97(16) . 2_665
C5 Ti1 Li1 Li1 8.7(2) . 2_665
C6 Ti1 Li1 Li1 36.02(18) . 2_665
C4 Ti1 Li1 Li1 -49.3(2) . 2_665
C12 Ti1 Li1 Li1 -159.61(17) . 2_665
C9 Ti1 Li1 Li1 140.00(17) . 2_665
C8 Ti1 Li1 Li1 174.8(2) . 2_665
C10 Ti1 Li1 Li1 148.12(14) . 2_665
C11 Ti1 Li1 Li1 -176.26(14) . 2_665
C2 Ti1 Li1 Li2 133.13(12) . .
C7 Ti1 Li1 Li2 -151.42(11) . .
C1 Ti1 Li1 Li2 176.02(14) . .
C3 Ti1 Li1 Li2 117.67(10) . .
C5 Ti1 Li1 Li2 -172.68(10) . .
C6 Ti1 Li1 Li2 -145.33(9) . .
C4 Ti1 Li1 Li2 129.35(10) . .
C12 Ti1 Li1 Li2 19.04(9) . .
C9 Ti1 Li1 Li2 -41.36(9) . .
C8 Ti1 Li1 Li2 -6.56(8) . .
C10 Ti1 Li1 Li2 -33.23(11) . .
C11 Ti1 Li1 Li2 2.39(11) . .
C1 Li1 Li2 N2 -163.9(3) 2_665 .
C8 Li1 Li2 N2 7.4(3) . .
C1 Li1 Li2 N2 20.3(5) . .
Li1 Li1 Li2 N2 -169.0(4) 2_665 .
Ti1 Li1 Li2 N2 14.4(4) . .
C1 Li1 Li2 N1 74.66(14) 2_665 .
C8 Li1 Li2 N1 -113.99(13) . .
C1 Li1 Li2 N1 -101.1(3) . .
Li1 Li1 Li2 N1 69.5(5) 2_665 .
Ti1 Li1 Li2 N1 -106.99(11) . .
C1 Li1 Li2 N3 -47.87(15) 2_665 .
C8 Li1 Li2 N3 123.48(14) . .
C1 Li1 Li2 N3 136.4(3) . .
Li1 Li1 Li2 N3 -53.0(5) 2_665 .
Ti1 Li1 Li2 N3 130.48(11) . .
C1 Li1 Li2 C8 -171.35(16) 2_665 .
C1 Li1 Li2 C8 12.9(3) . .
Li1 Li1 Li2 C8 -176.5(5) 2_665 .
Ti1 Li1 Li2 C8 7.00(8) . .
C23 Ti2 Li3 C22 -53.5(4) . 2_666
C28 Ti2 Li3 C22 20.6(4) . 2_666
C22 Ti2 Li3 C22 -8.6(4) . 2_666
C24 Ti2 Li3 C22 -71.5(5) . 2_666
C27 Ti2 Li3 C22 23.8(5) . 2_666
C26 Ti2 Li3 C22 -9.3(6) . 2_666
C25 Ti2 Li3 C22 -62.5(5) . 2_666
C30 Ti2 Li3 C22 -170.3(5) . 2_666
C33 Ti2 Li3 C22 129.3(5) . 2_666
C29 Ti2 Li3 C22 164.5(5) . 2_666
C31 Ti2 Li3 C22 172.8(4) . 2_666
C32 Ti2 Li3 C22 137.2(4) . 2_666
C23 Ti2 Li3 C29 142.05(12) . .
C28 Ti2 Li3 C29 -143.87(10) . .
C22 Ti2 Li3 C29 -173.13(14) . .
C24 Ti2 Li3 C29 123.99(9) . .
C27 Ti2 Li3 C29 -140.67(8) . .
C26 Ti2 Li3 C29 -173.81(12) . .
C25 Ti2 Li3 C29 133.01(10) . .
C30 Ti2 Li3 C29 25.21(8) . .
C33 Ti2 Li3 C29 -35.22(8) . .
C31 Ti2 Li3 C29 8.31(11) . .
C32 Ti2 Li3 C29 -27.25(10) . .
C23 Ti2 Li3 C22 -44.82(9) . .
C28 Ti2 Li3 C22 29.26(9) . .
C24 Ti2 Li3 C22 -62.87(10) . .
C27 Ti2 Li3 C22 32.47(12) . .
C26 Ti2 Li3 C22 -0.7(2) . .
C25 Ti2 Li3 C22 -53.85(14) . .
C30 Ti2 Li3 C22 -161.66(11) . .
C33 Ti2 Li3 C22 137.92(11) . .
C29 Ti2 Li3 C22 173.13(14) . .
C31 Ti2 Li3 C22 -178.56(9) . .
C32 Ti2 Li3 C22 145.89(9) . .
C23 Ti2 Li3 Li3 -47.48(16) . 2_666
C28 Ti2 Li3 Li3 26.60(17) . 2_666
C22 Ti2 Li3 Li3 -2.66(14) . 2_666
C24 Ti2 Li3 Li3 -65.54(18) . 2_666
C27 Ti2 Li3 Li3 29.8(2) . 2_666
C26 Ti2 Li3 Li3 -3.3(3) . 2_666
C25 Ti2 Li3 Li3 -56.5(2) . 2_666
C30 Ti2 Li3 Li3 -164.32(19) . 2_666
C33 Ti2 Li3 Li3 135.3(2) . 2_666
C29 Ti2 Li3 Li3 170.5(2) . 2_666
C31 Ti2 Li3 Li3 178.78(16) . 2_666
C32 Ti2 Li3 Li3 143.23(16) . 2_666
C23 Ti2 Li3 Li4 138.43(14) . .
C28 Ti2 Li3 Li4 -147.49(12) . .
C22 Ti2 Li3 Li4 -176.75(16) . .
C24 Ti2 Li3 Li4 120.37(11) . .
C27 Ti2 Li3 Li4 -144.28(10) . .
C26 Ti2 Li3 Li4 -177.42(11) . .
C25 Ti2 Li3 Li4 129.40(10) . .
C30 Ti2 Li3 Li4 21.59(10) . .
C33 Ti2 Li3 Li4 -38.83(9) . .
C29 Ti2 Li3 Li4 -3.62(8) . .
C31 Ti2 Li3 Li4 4.69(13) . .
C32 Ti2 Li3 Li4 -30.86(12) . .
C22 Li3 Li4 N4 76.77(15) 2_666 .
C29 Li3 Li4 N4 -111.44(14) . .
C22 Li3 Li4 N4 -112.5(3) . .
Li3 Li3 Li4 N4 87.3(6) 2_666 .
Ti2 Li3 Li4 N4 -107.56(12) . .
C22 Li3 Li4 N5 -161.2(3) 2_666 .
C29 Li3 Li4 N5 10.6(3) . .
C22 Li3 Li4 N5 9.5(6) . .
Li3 Li3 Li4 N5 -150.7(5) 2_666 .
Ti2 Li3 Li4 N5 14.5(4) . .
C22 Li3 Li4 N6 -45.99(16) 2_666 .
C29 Li3 Li4 N6 125.80(15) . .
C22 Li3 Li4 N6 124.7(3) . .
Li3 Li3 Li4 N6 -35.5(6) 2_666 .
Ti2 Li3 Li4 N6 129.68(11) . .
C22 Li3 Li4 C29 -171.80(19) 2_666 .
C22 Li3 Li4 C29 -1.1(3) . .
Li3 Li3 Li4 C29 -161.3(6) 2_666 .
Ti2 Li3 Li4 C29 3.88(8) . .
N2 Li2 N1 C14 102.03(12) . .
N3 Li2 N1 C14 16.40(18) . .
C8 Li2 N1 C14 -147.98(13) . .
Li1 Li2 N1 C14 -97.27(13) . .
N2 Li2 N1 C13 -134.32(11) . .
N3 Li2 N1 C13 140.06(13) . .
C8 Li2 N1 C13 -24.33(18) . .
Li1 Li2 N1 C13 26.38(15) . .
N2 Li2 N1 C15 -17.80(12) . .
N3 Li2 N1 C15 -103.43(14) . .
C8 Li2 N1 C15 92.18(15) . .
Li1 Li2 N1 C15 142.90(11) . .
N1 Li2 N2 C17 110.27(12) . .
N3 Li2 N2 C17 -133.00(12) . .
C8 Li2 N2 C17 -8.06(17) . .
Li1 Li2 N2 C17 -14.0(4) . .
N1 Li2 N2 C16 -10.75(12) . .
N3 Li2 N2 C16 105.98(11) . .
C8 Li2 N2 C16 -129.09(13) . .
Li1 Li2 N2 C16 -135.0(3) . .
N1 Li2 N2 C18 -128.37(11) . .
N3 Li2 N2 C18 -11.64(12) . .
C8 Li2 N2 C18 113.30(13) . .
Li1 Li2 N2 C18 107.4(3) . .
N2 Li2 N3 C20 101.58(11) . .
N1 Li2 N3 C20 -172.14(13) . .
C8 Li2 N3 C20 -8.89(18) . .
Li1 Li2 N3 C20 -58.03(13) . .
N2 Li2 N3 C19 -13.96(13) . .
N1 Li2 N3 C19 72.32(16) . .
C8 Li2 N3 C19 -124.43(15) . .
Li1 Li2 N3 C19 -173.57(11) . .
N2 Li2 N3 C21 -137.06(12) . .
N1 Li2 N3 C21 -50.78(19) . .
C8 Li2 N3 C21 112.47(16) . .
Li1 Li2 N3 C21 63.33(15) . .
N5 Li4 N4 C35 100.79(12) . .
N6 Li4 N4 C35 15.38(18) . .
C29 Li4 N4 C35 -150.55(13) . .
Li3 Li4 N4 C35 -99.64(14) . .
N5 Li4 N4 C34 -134.52(11) . .
N6 Li4 N4 C34 140.07(13) . .
C29 Li4 N4 C34 -25.86(17) . .
Li3 Li4 N4 C34 25.06(14) . .
N5 Li4 N4 C36 -18.52(11) . .
N6 Li4 N4 C36 -103.93(14) . .
C29 Li4 N4 C36 90.14(14) . .
Li3 Li4 N4 C36 141.05(11) . .
N4 Li4 N5 C39 -128.21(11) . .
N6 Li4 N5 C39 -11.93(12) . .
C29 Li4 N5 C39 115.09(13) . .
Li3 Li4 N5 C39 106.8(3) . .
N4 Li4 N5 C38 109.91(13) . .
N6 Li4 N5 C38 -133.82(12) . .
C29 Li4 N5 C38 -6.79(18) . .
Li3 Li4 N5 C38 -15.1(4) . .
N4 Li4 N5 C37 -10.60(12) . .
N6 Li4 N5 C37 105.68(11) . .
C29 Li4 N5 C37 -127.30(13) . .
Li3 Li4 N5 C37 -135.6(3) . .
N4 Li4 N6 C41 -171.04(12) . .
N5 Li4 N6 C41 102.29(11) . .
C29 Li4 N6 C41 -6.78(19) . .
Li3 Li4 N6 C41 -55.80(14) . .
N4 Li4 N6 C40 72.14(15) . .
N5 Li4 N6 C40 -14.53(12) . .
C29 Li4 N6 C40 -123.60(16) . .
Li3 Li4 N6 C40 -172.62(12) . .
N4 Li4 N6 C42 -48.42(18) . .
N5 Li4 N6 C42 -135.09(12) . .
C29 Li4 N6 C42 115.83(16) . .
Li3 Li4 N6 C42 66.82(15) . .
C2 Ti1 C1 C7 -140.04(14) . .
C3 Ti1 C1 C7 -119.32(10) . .
C5 Ti1 C1 C7 -51.32(10) . .
C6 Ti1 C1 C7 -20.80(9) . .
C4 Ti1 C1 C7 -88.67(10) . .
C12 Ti1 C1 C7 149.47(9) . .
C9 Ti1 C1 C7 84.60(10) . .
C8 Ti1 C1 C7 120.19(9) . .
C10 Ti1 C1 C7 68.38(13) . .
C11 Ti1 C1 C7 139.02(16) . .
C7 Ti1 C1 C2 140.04(14) . .
C3 Ti1 C1 C2 20.71(9) . .
C5 Ti1 C1 C2 88.71(10) . .
C6 Ti1 C1 C2 119.24(10) . .
C4 Ti1 C1 C2 51.36(10) . .
C12 Ti1 C1 C2 -70.50(11) . .
C9 Ti1 C1 C2 -135.36(9) . .
C8 Ti1 C1 C2 -99.77(9) . .
C10 Ti1 C1 C2 -151.59(11) . .
C11 Ti1 C1 C2 -80.94(19) . .
C2 Ti1 C1 Li1 103.7(3) . 2_665
C7 Ti1 C1 Li1 -116.2(3) . 2_665
C3 Ti1 C1 Li1 124.4(2) . 2_665
C5 Ti1 C1 Li1 -167.6(2) . 2_665
C6 Ti1 C1 Li1 -137.0(2) . 2_665
C4 Ti1 C1 Li1 155.1(2) . 2_665
C12 Ti1 C1 Li1 33.2(3) . 2_665
C9 Ti1 C1 Li1 -31.6(2) . 2_665
C8 Ti1 C1 Li1 3.9(2) . 2_665
C10 Ti1 C1 Li1 -47.9(3) . 2_665
C11 Ti1 C1 Li1 22.8(3) . 2_665
C2 Ti1 C1 Li1 97.82(12) . .
C7 Ti1 C1 Li1 -122.15(13) . .
C3 Ti1 C1 Li1 118.53(10) . .
C5 Ti1 C1 Li1 -173.47(9) . .
C6 Ti1 C1 Li1 -142.95(10) . .
C4 Ti1 C1 Li1 149.18(10) . .
C12 Ti1 C1 Li1 27.32(11) . .
C9 Ti1 C1 Li1 -37.55(10) . .
C8 Ti1 C1 Li1 -1.96(10) . .
C10 Ti1 C1 Li1 -53.77(14) . .
C11 Ti1 C1 Li1 16.9(2) . .
C1 Li1 C1 C7 114.12(17) 2_665 .
C8 Li1 C1 C7 -60.57(17) . .
Li1 Li1 C1 C7 114.12(17) 2_665 .
Ti1 Li1 C1 C7 -62.67(11) . .
Li2 Li1 C1 C7 -70.3(3) . .
C1 Li1 C1 C2 -114.04(15) 2_665 .
C8 Li1 C1 C2 71.27(14) . .
Li1 Li1 C1 C2 -114.05(15) 2_665 .
Ti1 Li1 C1 C2 69.17(9) . .
Li2 Li1 C1 C2 61.5(3) . .
C1 Li1 C1 Li1 0.0 2_665 2_665
C8 Li1 C1 Li1 -174.7(2) . 2_665
Ti1 Li1 C1 Li1 -176.78(14) . 2_665
Li2 Li1 C1 Li1 175.5(4) . 2_665
C1 Li1 C1 Ti1 176.79(14) 2_665 .
C8 Li1 C1 Ti1 2.10(10) . .
Li1 Li1 C1 Ti1 176.78(14) 2_665 .
Li2 Li1 C1 Ti1 -7.7(3) . .
C7 C1 C2 C3 3.7(3) . .
Li1 C1 C2 C3 169.09(16) 2_665 .
Ti1 C1 C2 C3 -43.80(17) . .
Li1 C1 C2 C3 -121.72(18) . .
C7 C1 C2 Ti1 47.49(14) . .
Li1 C1 C2 Ti1 -147.11(11) 2_665 .
Li1 C1 C2 Ti1 -77.92(8) . .
C7 Ti1 C2 C1 -24.76(9) . .
C3 Ti1 C2 C1 -146.85(15) . .
C5 Ti1 C2 C1 -93.64(10) . .
C6 Ti1 C2 C1 -56.26(10) . .
C4 Ti1 C2 C1 -124.48(10) . .
C12 Ti1 C2 C1 125.71(9) . .
C9 Ti1 C2 C1 65.50(12) . .
C8 Ti1 C2 C1 88.08(9) . .
C10 Ti1 C2 C1 109.0(2) . .
C11 Ti1 C2 C1 150.15(9) . .
C7 Ti1 C2 C3 122.09(11) . .
C1 Ti1 C2 C3 146.84(15) . .
C5 Ti1 C2 C3 53.20(11) . .
C6 Ti1 C2 C3 90.59(11) . .
C4 Ti1 C2 C3 22.36(10) . .
C12 Ti1 C2 C3 -87.44(10) . .
C9 Ti1 C2 C3 -147.65(10) . .
C8 Ti1 C2 C3 -125.07(10) . .
C10 Ti1 C2 C3 -104.2(2) . .
C11 Ti1 C2 C3 -63.00(13) . .
C1 C2 C3 C4 -1.9(3) . .
Ti1 C2 C3 C4 -45.42(16) . .
C1 C2 C3 Ti1 43.52(17) . .
C2 Ti1 C3 C4 143.45(16) . .
C7 Ti1 C3 C4 90.05(11) . .
C1 Ti1 C3 C4 122.64(11) . .
C5 Ti1 C3 C4 21.56(10) . .
C6 Ti1 C3 C4 52.21(11) . .
C12 Ti1 C3 C4 -114.98(10) . .
C9 Ti1 C3 C4 -134.05(15) . .
C8 Ti1 C3 C4 -147.09(10) . .
C10 Ti1 C3 C4 -64.83(15) . .
C11 Ti1 C3 C4 -79.56(11) . .
C7 Ti1 C3 C2 -53.39(10) . .
C1 Ti1 C3 C2 -20.81(10) . .
C5 Ti1 C3 C2 -121.89(11) . .
C6 Ti1 C3 C2 -91.24(11) . .
C4 Ti1 C3 C2 -143.45(16) . .
C12 Ti1 C3 C2 101.57(10) . .
C9 Ti1 C3 C2 82.50(18) . .
C8 Ti1 C3 C2 69.46(11) . .
C10 Ti1 C3 C2 151.72(11) . .
C11 Ti1 C3 C2 136.99(10) . .
C2 C3 C4 C5 0.6(3) . .
Ti1 C3 C4 C5 -44.03(16) . .
C2 C3 C4 Ti1 44.62(16) . .
C2 Ti1 C4 C3 -22.92(10) . .
C7 Ti1 C4 C3 -91.89(11) . .
C1 Ti1 C4 C3 -53.77(11) . .
C5 Ti1 C4 C3 -145.11(15) . .
C6 Ti1 C4 C3 -123.10(11) . .
C12 Ti1 C4 C3 76.04(11) . .
C9 Ti1 C4 C3 140.60(14) . .
C8 Ti1 C4 C3 61.38(15) . .
C10 Ti1 C4 C3 141.37(10) . .
C11 Ti1 C4 C3 110.45(10) . .
C2 Ti1 C4 C5 122.19(11) . .
C7 Ti1 C4 C5 53.23(10) . .
C1 Ti1 C4 C5 91.34(10) . .
C3 Ti1 C4 C5 145.11(15) . .
C6 Ti1 C4 C5 22.01(10) . .
C12 Ti1 C4 C5 -138.85(10) . .
C9 Ti1 C4 C5 -74.29(18) . .
C8 Ti1 C4 C5 -153.51(11) . .
C10 Ti1 C4 C5 -73.52(11) . .
C11 Ti1 C4 C5 -104.43(10) . .
C3 C4 C5 C6 -1.4(3) . .
Ti1 C4 C5 C6 -45.37(16) . .
C3 C4 C5 Ti1 44.00(16) . .
C2 Ti1 C5 C4 -53.17(11) . .
C7 Ti1 C5 C4 -122.17(11) . .
C1 Ti1 C5 C4 -91.55(10) . .
C3 Ti1 C5 C4 -21.50(10) . .
C6 Ti1 C5 C4 -144.39(16) . .
C12 Ti1 C5 C4 62.75(14) . .
C9 Ti1 C5 C4 146.40(10) . .
C8 Ti1 C5 C4 120.7(2) . .
C10 Ti1 C5 C4 120.11(10) . .
C11 Ti1 C5 C4 84.56(11) . .
C2 Ti1 C5 C6 91.22(11) . .
C7 Ti1 C5 C6 22.22(10) . .
C1 Ti1 C5 C6 52.84(11) . .
C3 Ti1 C5 C6 122.89(12) . .
C4 Ti1 C5 C6 144.39(16) . .
C12 Ti1 C5 C6 -152.86(10) . .
C9 Ti1 C5 C6 -69.21(12) . .
C8 Ti1 C5 C6 -94.9(2) . .
C10 Ti1 C5 C6 -95.50(11) . .
C11 Ti1 C5 C6 -131.05(10) . .
C4 C5 C6 C7 1.7(3) . .
Ti1 C5 C6 C7 -43.78(16) . .
C4 C5 C6 Ti1 45.47(16) . .
C2 Ti1 C6 C5 -90.56(11) . .
C7 Ti1 C6 C5 -144.32(16) . .
C1 Ti1 C6 C5 -123.39(11) . .
C3 Ti1 C6 C5 -52.37(11) . .
C4 Ti1 C6 C5 -21.96(10) . .
C12 Ti1 C6 C5 83.3(2) . .
C9 Ti1 C6 C5 130.23(10) . .
C8 Ti1 C6 C5 154.28(10) . .
C10 Ti1 C6 C5 93.88(11) . .
C11 Ti1 C6 C5 65.68(12) . .
C2 Ti1 C6 C7 53.76(10) . .
C1 Ti1 C6 C7 20.94(10) . .
C3 Ti1 C6 C7 91.95(10) . .
C5 Ti1 C6 C7 144.32(16) . .
C4 Ti1 C6 C7 122.36(11) . .
C12 Ti1 C6 C7 -132.33(18) . .
C9 Ti1 C6 C7 -85.45(10) . .
C8 Ti1 C6 C7 -61.40(14) . .
C10 Ti1 C6 C7 -121.79(10) . .
C11 Ti1 C6 C7 -150.00(10) . .
C5 C6 C7 C1 0.5(3) . .
Ti1 C6 C7 C1 -43.72(16) . .
C5 C6 C7 Ti1 44.26(16) . .
C2 C1 C7 C6 -3.3(3) . .
Li1 C1 C7 C6 -167.84(16) 2_665 .
Ti1 C1 C7 C6 44.07(17) . .
Li1 C1 C7 C6 112.05(19) . .
C2 C1 C7 Ti1 -47.33(14) . .
Li1 C1 C7 Ti1 148.09(13) 2_665 .
Li1 C1 C7 Ti1 67.97(11) . .
C2 Ti1 C7 C6 -121.62(11) . .
C1 Ti1 C7 C6 -146.53(15) . .
C3 Ti1 C7 C6 -90.00(11) . .
C5 Ti1 C7 C6 -21.98(10) . .
C4 Ti1 C7 C6 -52.83(11) . .
C12 Ti1 C7 C6 150.99(13) . .
C9 Ti1 C7 C6 106.14(10) . .
C8 Ti1 C7 C6 142.39(10) . .
C10 Ti1 C7 C6 72.70(11) . .
C11 Ti1 C7 C6 66.88(17) . .
C2 Ti1 C7 C1 24.91(9) . .
C3 Ti1 C7 C1 56.53(10) . .
C5 Ti1 C7 C1 124.55(10) . .
C6 Ti1 C7 C1 146.53(15) . .
C4 Ti1 C7 C1 93.70(10) . .
C12 Ti1 C7 C1 -62.48(17) . .
C9 Ti1 C7 C1 -107.33(9) . .
C8 Ti1 C7 C1 -71.07(10) . .
C10 Ti1 C7 C1 -140.77(9) . .
C11 Ti1 C7 C1 -146.58(12) . .
N2 Li2 C8 C9 -67.92(18) . .
N1 Li2 C8 C9 -165.61(13) . .
N3 Li2 C8 C9 31.3(2) . .
Li1 Li2 C8 C9 109.04(16) . .
N2 Li2 C8 C12 56.06(17) . .
N1 Li2 C8 C12 -41.63(19) . .
N3 Li2 C8 C12 155.25(14) . .
Li1 Li2 C8 C12 -126.97(15) . .
N2 Li2 C8 Li1 -176.97(14) . .
N1 Li2 C8 Li1 85.34(15) . .
N3 Li2 C8 Li1 -77.78(16) . .
N2 Li2 C8 Ti1 157.1(2) . .
N1 Li2 C8 Ti1 59.4(4) . .
N3 Li2 C8 Ti1 -103.7(3) . .
Li1 Li2 C8 Ti1 -25.9(3) . .
C1 Li1 C8 C9 -107.0(3) 2_665 .
C1 Li1 C8 C9 63.78(15) . .
Li1 Li1 C8 C9 54.0(5) 2_665 .
Ti1 Li1 C8 C9 65.78(10) . .
Li2 Li1 C8 C9 -122.90(14) . .
C1 Li1 C8 C12 130.7(3) 2_665 .
C1 Li1 C8 C12 -58.52(19) . .
Li1 Li1 C8 C12 -68.3(5) 2_665 .
Ti1 Li1 C8 C12 -56.53(13) . .
Li2 Li1 C8 C12 114.79(17) . .
C1 Li1 C8 Li2 15.9(3) 2_665 .
C1 Li1 C8 Li2 -173.32(13) . .
Li1 Li1 C8 Li2 176.9(5) 2_665 .
Ti1 Li1 C8 Li2 -171.32(10) . .
C1 Li1 C8 Ti1 -172.8(3) 2_665 .
C1 Li1 C8 Ti1 -2.00(10) . .
Li1 Li1 C8 Ti1 -11.8(5) 2_665 .
Li2 Li1 C8 Ti1 171.32(10) . .
C2 Ti1 C8 C9 -152.08(10) . .
C7 Ti1 C8 C9 -76.94(10) . .
C1 Ti1 C8 C9 -113.17(10) . .
C3 Ti1 C8 C9 171.46(9) . .
C5 Ti1 C8 C9 34.2(3) . .
C6 Ti1 C8 C9 -40.32(13) . .
C4 Ti1 C8 C9 132.94(12) . .
C12 Ti1 C8 C9 109.93(13) . .
C10 Ti1 C8 C9 34.87(9) . .
C11 Ti1 C8 C9 74.52(10) . .
C2 Ti1 C8 C12 97.99(10) . .
C7 Ti1 C8 C12 173.13(10) . .
C1 Ti1 C8 C12 136.91(10) . .
C3 Ti1 C8 C12 61.53(11) . .
C5 Ti1 C8 C12 -75.7(2) . .
C6 Ti1 C8 C12 -150.25(11) . .
C4 Ti1 C8 C12 23.01(16) . .
C9 Ti1 C8 C12 -109.93(13) . .
C10 Ti1 C8 C12 -75.05(10) . .
C11 Ti1 C8 C12 -35.41(9) . .
C2 Ti1 C8 Li2 -10.7(3) . .
C7 Ti1 C8 Li2 64.5(3) . .
C1 Ti1 C8 Li2 28.2(3) . .
C3 Ti1 C8 Li2 -47.1(3) . .
C5 Ti1 C8 Li2 175.6(3) . .
C6 Ti1 C8 Li2 101.1(3) . .
C4 Ti1 C8 Li2 -85.7(3) . .
C12 Ti1 C8 Li2 -108.7(3) . .
C9 Ti1 C8 Li2 141.4(3) . .
C10 Ti1 C8 Li2 176.3(3) . .
C11 Ti1 C8 Li2 -144.1(3) . .
C2 Ti1 C8 Li1 -36.88(10) . .
C7 Ti1 C8 Li1 38.26(11) . .
C1 Ti1 C8 Li1 2.03(10) . .
C3 Ti1 C8 Li1 -73.34(10) . .
C5 Ti1 C8 Li1 149.4(2) . .
C6 Ti1 C8 Li1 74.88(13) . .
C4 Ti1 C8 Li1 -111.87(13) . .
C12 Ti1 C8 Li1 -134.87(13) . .
C9 Ti1 C8 Li1 115.20(13) . .
C10 Ti1 C8 Li1 150.07(11) . .
C11 Ti1 C8 Li1 -170.28(11) . .
C12 C8 C9 C10 1.18(17) . .
Li2 C8 C9 C10 130.47(14) . .
Li1 C8 C9 C10 -134.85(13) . .
Ti1 C8 C9 C10 -64.19(11) . .
C12 C8 C9 Ti1 65.37(9) . .
Li2 C8 C9 Ti1 -165.35(13) . .
Li1 C8 C9 Ti1 -70.66(10) . .
C2 Ti1 C9 C10 159.33(10) . .
C7 Ti1 C9 C10 -124.37(10) . .
C1 Ti1 C9 C10 -163.46(10) . .
C3 Ti1 C9 C10 101.16(17) . .
C5 Ti1 C9 C10 -48.32(13) . .
C6 Ti1 C9 C10 -85.51(11) . .
C4 Ti1 C9 C10 1.2(2) . .
C12 Ti1 C9 C10 78.92(11) . .
C8 Ti1 C9 C10 120.11(14) . .
C11 Ti1 C9 C10 36.86(9) . .
C2 Ti1 C9 C8 39.22(13) . .
C7 Ti1 C9 C8 115.52(9) . .
C1 Ti1 C9 C8 76.43(10) . .
C3 Ti1 C9 C8 -18.9(2) . .
C5 Ti1 C9 C8 -168.43(9) . .
C6 Ti1 C9 C8 154.38(9) . .
C4 Ti1 C9 C8 -118.95(15) . .
C12 Ti1 C9 C8 -41.19(9) . .
C10 Ti1 C9 C8 -120.11(14) . .
C11 Ti1 C9 C8 -83.25(10) . .
C8 C9 C10 C11 -1.17(18) . .
Ti1 C9 C10 C11 -63.97(11) . .
C8 C9 C10 Ti1 62.80(11) . .
C2 Ti1 C10 C11 56.7(2) . .
C7 Ti1 C10 C11 -175.57(9) . .
C1 Ti1 C10 C11 142.86(11) . .
C3 Ti1 C10 C11 -24.94(15) . .
C5 Ti1 C10 C11 -100.04(10) . .
C6 Ti1 C10 C11 -138.51(10) . .
C4 Ti1 C10 C11 -63.43(11) . .
C12 Ti1 C10 C11 37.65(9) . .
C9 Ti1 C10 C11 115.99(14) . .
C8 Ti1 C10 C11 80.14(10) . .
C2 Ti1 C10 C9 -59.3(2) . .
C7 Ti1 C10 C9 68.44(12) . .
C1 Ti1 C10 C9 26.88(16) . .
C3 Ti1 C10 C9 -140.92(11) . .
C5 Ti1 C10 C9 143.97(10) . .
C6 Ti1 C10 C9 105.51(11) . .
C4 Ti1 C10 C9 -179.41(10) . .
C12 Ti1 C10 C9 -78.34(10) . .
C8 Ti1 C10 C9 -35.85(9) . .
C11 Ti1 C10 C9 -115.99(14) . .
C9 C10 C11 C12 0.61(17) . .
Ti1 C10 C11 C12 -61.71(11) . .
C9 C10 C11 Ti1 62.31(11) . .
C2 Ti1 C11 C10 -159.87(10) . .
C7 Ti1 C11 C10 8.90(18) . .
C1 Ti1 C11 C10 -101.33(18) . .
C3 Ti1 C11 C10 164.21(10) . .
C5 Ti1 C11 C10 89.44(10) . .
C6 Ti1 C11 C10 54.20(12) . .
C4 Ti1 C11 C10 127.15(10) . .
C12 Ti1 C11 C10 -116.39(14) . .
C9 Ti1 C11 C10 -37.73(9) . .
C8 Ti1 C11 C10 -79.94(10) . .
C2 Ti1 C11 C12 -43.48(13) . .
C7 Ti1 C11 C12 125.29(14) . .
C1 Ti1 C11 C12 15.1(2) . .
C3 Ti1 C11 C12 -79.40(11) . .
C5 Ti1 C11 C12 -154.17(10) . .
C6 Ti1 C11 C12 170.59(9) . .
C4 Ti1 C11 C12 -116.46(10) . .
C9 Ti1 C11 C12 78.67(10) . .
C8 Ti1 C11 C12 36.45(9) . .
C10 Ti1 C11 C12 116.39(14) . .
C10 C11 C12 C8 0.13(18) . .
Ti1 C11 C12 C8 -63.47(11) . .
C10 C11 C12 Ti1 63.60(11) . .
C9 C8 C12 C11 -0.78(16) . .
Li2 C8 C12 C11 -135.68(14) . .
Li1 C8 C12 C11 124.83(16) . .
Ti1 C8 C12 C11 64.91(11) . .
C9 C8 C12 Ti1 -65.69(9) . .
Li2 C8 C12 Ti1 159.41(12) . .
Li1 C8 C12 Ti1 59.92(14) . .
C2 Ti1 C12 C11 149.17(10) . .
C7 Ti1 C12 C11 -132.32(13) . .
C1 Ti1 C12 C11 -173.50(9) . .
C3 Ti1 C12 C11 110.29(10) . .
C5 Ti1 C12 C11 37.88(14) . .
C6 Ti1 C12 C11 -24.5(2) . .
C4 Ti1 C12 C11 73.73(11) . .
C9 Ti1 C12 C11 -78.32(10) . .
C8 Ti1 C12 C11 -119.21(14) . .
C10 Ti1 C12 C11 -36.57(9) . .
C2 Ti1 C12 C8 -91.62(10) . .
C7 Ti1 C12 C8 -13.10(18) . .
C1 Ti1 C12 C8 -54.29(12) . .
C3 Ti1 C12 C8 -130.49(10) . .
C5 Ti1 C12 C8 157.09(10) . .
C6 Ti1 C12 C8 94.7(2) . .
C4 Ti1 C12 C8 -167.05(9) . .
C9 Ti1 C12 C8 40.90(9) . .
C10 Ti1 C12 C8 82.64(10) . .
C11 Ti1 C12 C8 119.21(14) . .
C14 N1 C15 C16 -76.84(16) . .
C13 N1 C15 C16 163.27(13) . .
Li2 N1 C15 C16 44.18(15) . .
C17 N2 C16 C15 -86.35(15) . .
C18 N2 C16 C15 150.18(13) . .
Li2 N2 C16 C15 38.06(15) . .
N1 C15 C16 N2 -60.24(17) . .
C17 N2 C18 C19 160.84(13) . .
C16 N2 C18 C19 -75.28(16) . .
Li2 N2 C18 C19 35.75(16) . .
C20 N3 C19 C18 -71.85(16) . .
C21 N3 C19 C18 168.52(13) . .
Li2 N3 C19 C18 37.63(16) . .
N2 C18 C19 N3 -52.77(18) . .
C23 Ti2 C22 C28 -139.89(15) . .
C24 Ti2 C22 C28 -119.68(11) . .
C27 Ti2 C22 C28 -20.93(10) . .
C26 Ti2 C22 C28 -51.65(11) . .
C25 Ti2 C22 C28 -88.82(11) . .
C30 Ti2 C22 C28 150.99(10) . .
C33 Ti2 C22 C28 87.44(10) . .
C29 Ti2 C22 C28 123.56(10) . .
C31 Ti2 C22 C28 132.69(18) . .
C32 Ti2 C22 C28 69.39(13) . .
C28 Ti2 C22 C23 139.89(15) . .
C24 Ti2 C22 C23 20.21(11) . .
C27 Ti2 C22 C23 118.96(12) . .
C26 Ti2 C22 C23 88.24(11) . .
C25 Ti2 C22 C23 51.08(12) . .
C30 Ti2 C22 C23 -69.11(12) . .
C33 Ti2 C22 C23 -132.67(11) . .
C29 Ti2 C22 C23 -96.54(11) . .
C31 Ti2 C22 C23 -87.4(2) . .
C32 Ti2 C22 C23 -150.71(11) . .
C23 Ti2 C22 Li3 97.5(3) . 2_666
C28 Ti2 C22 Li3 -122.6(3) . 2_666
C24 Ti2 C22 Li3 117.7(3) . 2_666
C27 Ti2 C22 Li3 -143.5(3) . 2_666
C26 Ti2 C22 Li3 -174.2(3) . 2_666
C25 Ti2 C22 Li3 148.6(3) . 2_666
C30 Ti2 C22 Li3 28.4(3) . 2_666
C33 Ti2 C22 Li3 -35.2(3) . 2_666
C29 Ti2 C22 Li3 1.0(3) . 2_666
C31 Ti2 C22 Li3 10.1(4) . 2_666
C32 Ti2 C22 Li3 -53.2(3) . 2_666
C23 Ti2 C22 Li3 91.37(14) . .
C28 Ti2 C22 Li3 -128.74(15) . .
C24 Ti2 C22 Li3 111.58(12) . .
C27 Ti2 C22 Li3 -149.67(12) . .
C26 Ti2 C22 Li3 179.61(11) . .
C25 Ti2 C22 Li3 142.44(11) . .
C30 Ti2 C22 Li3 22.25(13) . .
C33 Ti2 C22 Li3 -41.30(11) . .
C29 Ti2 C22 Li3 -5.18(11) . .
C31 Ti2 C22 Li3 4.0(2) . .
C32 Ti2 C22 Li3 -59.35(14) . .
C22 Li3 C22 C28 117.06(19) 2_666 .
C29 Li3 C22 C28 -54.0(2) . .
Li3 Li3 C22 C28 117.06(19) 2_666 .
Ti2 Li3 C22 C28 -59.64(13) . .
Li4 Li3 C22 C28 -53.2(4) . .
C22 Li3 C22 C23 -112.92(18) 2_666 .
C29 Li3 C22 C23 75.99(15) . .
Li3 Li3 C22 C23 -112.92(18) 2_666 .
Ti2 Li3 C22 C23 70.38(10) . .
Li4 Li3 C22 C23 76.8(3) . .
C22 Li3 C22 Li3 0.0 2_666 2_666
C29 Li3 C22 Li3 -171.1(2) . 2_666
Ti2 Li3 C22 Li3 -176.69(17) . 2_666
Li4 Li3 C22 Li3 -170.3(4) . 2_666
C22 Li3 C22 Ti2 176.69(17) 2_666 .
C29 Li3 C22 Ti2 5.60(12) . .
Li3 Li3 C22 Ti2 176.69(17) 2_666 .
Li4 Li3 C22 Ti2 6.4(3) . .
C28 C22 C23 C24 4.2(3) . .
Li3 C22 C23 C24 168.97(18) 2_666 .
Ti2 C22 C23 C24 -43.53(19) . .
Li3 C22 C23 C24 -123.1(2) . .
C28 C22 C23 Ti2 47.72(15) . .
Li3 C22 C23 Ti2 -147.50(12) 2_666 .
Li3 C22 C23 Ti2 -79.61(9) . .
C28 Ti2 C23 C24 122.69(12) . .
C22 Ti2 C23 C24 147.49(17) . .
C27 Ti2 C23 C24 91.10(12) . .
C26 Ti2 C23 C24 53.92(12) . .
C25 Ti2 C23 C24 23.03(11) . .
C30 Ti2 C23 C24 -84.64(12) . .
C33 Ti2 C23 C24 -146.40(11) . .
C29 Ti2 C23 C24 -121.91(11) . .
C31 Ti2 C23 C24 -62.81(15) . .
C32 Ti2 C23 C24 -114.5(2) . .
C28 Ti2 C23 C22 -24.80(10) . .
C24 Ti2 C23 C22 -147.49(17) . .
C27 Ti2 C23 C22 -56.39(11) . .
C26 Ti2 C23 C22 -93.57(11) . .
C25 Ti2 C23 C22 -124.46(12) . .
C30 Ti2 C23 C22 127.87(10) . .
C33 Ti2 C23 C22 66.11(13) . .
C29 Ti2 C23 C22 90.61(10) . .
C31 Ti2 C23 C22 149.70(10) . .
C32 Ti2 C23 C22 98.0(2) . .
C22 C23 C24 C25 -3.1(3) . .
Ti2 C23 C24 C25 -46.33(17) . .
C22 C23 C24 Ti2 43.20(19) . .
C23 Ti2 C24 C25 142.38(17) . .
C28 Ti2 C24 C25 89.64(12) . .
C22 Ti2 C24 C25 121.98(12) . .
C27 Ti2 C24 C25 51.78(12) . .
C26 Ti2 C24 C25 21.49(11) . .
C30 Ti2 C24 C25 -113.34(11) . .
C33 Ti2 C24 C25 -141.63(15) . .
C29 Ti2 C24 C25 -146.82(10) . .
C31 Ti2 C24 C25 -78.97(12) . .
C32 Ti2 C24 C25 -68.35(17) . .
C28 Ti2 C24 C23 -52.74(12) . .
C22 Ti2 C24 C23 -20.40(11) . .
C27 Ti2 C24 C23 -90.60(12) . .
C26 Ti2 C24 C23 -120.89(12) . .
C25 Ti2 C24 C23 -142.38(17) . .
C30 Ti2 C24 C23 104.28(11) . .
C33 Ti2 C24 C23 75.99(19) . .
C29 Ti2 C24 C23 70.80(12) . .
C31 Ti2 C24 C23 138.65(11) . .
C32 Ti2 C24 C23 149.27(12) . .
C23 C24 C25 C26 1.2(3) . .
Ti2 C24 C25 C26 -44.34(18) . .
C23 C24 C25 Ti2 45.53(17) . .
C23 Ti2 C25 C24 -23.42(11) . .
C28 Ti2 C25 C24 -92.12(12) . .
C22 Ti2 C25 C24 -54.15(12) . .
C27 Ti2 C25 C24 -123.52(12) . .
C26 Ti2 C25 C24 -145.12(17) . .
C30 Ti2 C25 C24 76.91(12) . .
C33 Ti2 C25 C24 135.15(18) . .
C29 Ti2 C25 C24 57.81(16) . .
C31 Ti2 C25 C24 112.29(11) . .
C32 Ti2 C25 C24 142.06(11) . .
C23 Ti2 C25 C26 121.70(12) . .
C28 Ti2 C25 C26 53.00(11) . .
C22 Ti2 C25 C26 90.97(11) . .
C24 Ti2 C25 C26 145.12(17) . .
C27 Ti2 C25 C26 21.60(10) . .
C30 Ti2 C25 C26 -137.97(10) . .
C33 Ti2 C25 C26 -79.7(2) . .
C29 Ti2 C25 C26 -157.07(10) . .
C31 Ti2 C25 C26 -102.59(10) . .
C32 Ti2 C25 C26 -72.82(12) . .
C24 C25 C26 C27 -0.4(3) . .
Ti2 C25 C26 C27 -44.62(17) . .
C24 C25 C26 Ti2 44.21(18) . .
C23 Ti2 C26 C25 -53.26(11) . .
C28 Ti2 C26 C25 -122.21(12) . .
C22 Ti2 C26 C25 -91.47(11) . .
C24 Ti2 C26 C25 -21.50(11) . .
C27 Ti2 C26 C25 -145.00(16) . .
C30 Ti2 C26 C25 62.19(14) . .
C33 Ti2 C26 C25 148.37(11) . .
C29 Ti2 C26 C25 109.0(3) . .
C31 Ti2 C26 C25 86.96(11) . .
C32 Ti2 C26 C25 122.99(11) . .
C23 Ti2 C26 C27 91.73(12) . .
C28 Ti2 C26 C27 22.78(11) . .
C22 Ti2 C26 C27 53.53(12) . .
C24 Ti2 C26 C27 123.49(12) . .
C25 Ti2 C26 C27 145.00(16) . .
C30 Ti2 C26 C27 -152.81(10) . .
C33 Ti2 C26 C27 -66.64(13) . .
C29 Ti2 C26 C27 -106.0(3) . .
C31 Ti2 C26 C27 -128.05(10) . .
C32 Ti2 C26 C27 -92.02(11) . .
C25 C26 C27 C28 0.0(3) . .
Ti2 C26 C27 C28 -44.65(16) . .
C25 C26 C27 Ti2 44.70(17) . .
C23 Ti2 C27 C26 -89.65(12) . .
C28 Ti2 C27 C26 -143.43(16) . .
C22 Ti2 C27 C26 -122.44(12) . .
C24 Ti2 C27 C26 -51.80(12) . .
C25 Ti2 C27 C26 -21.56(10) . .
C30 Ti2 C27 C26 77.8(2) . .
C33 Ti2 C27 C26 134.47(10) . .
C29 Ti2 C27 C26 157.13(10) . .
C31 Ti2 C27 C26 68.50(12) . .
C32 Ti2 C27 C26 98.38(11) . .
C23 Ti2 C27 C28 53.79(12) . .
C22 Ti2 C27 C28 20.99(10) . .
C24 Ti2 C27 C28 91.64(12) . .
C26 Ti2 C27 C28 143.43(16) . .
C25 Ti2 C27 C28 121.87(12) . .
C30 Ti2 C27 C28 -138.74(18) . .
C33 Ti2 C27 C28 -82.10(11) . .
C29 Ti2 C27 C28 -59.44(15) . .
C31 Ti2 C27 C28 -148.06(10) . .
C32 Ti2 C27 C28 -118.19(11) . .
C23 C22 C28 C27 -3.2(3) . .
Li3 C22 C28 C27 -166.25(17) 2_666 .
Ti2 C22 C28 C27 44.29(17) . .
Li3 C22 C28 C27 108.2(2) . .
C23 C22 C28 Ti2 -47.53(15) . .
Li3 C22 C28 Ti2 149.46(15) 2_666 .
Li3 C22 C28 Ti2 63.93(13) . .
C26 C27 C28 C22 1.3(3) . .
Ti2 C27 C28 C22 -43.93(17) . .
C26 C27 C28 Ti2 45.27(16) . .
C23 Ti2 C28 C22 24.95(10) . .
C24 Ti2 C28 C22 56.06(11) . .
C27 Ti2 C28 C22 146.35(16) . .
C26 Ti2 C28 C22 123.92(11) . .
C25 Ti2 C28 C22 93.21(11) . .
C30 Ti2 C28 C22 -63.12(19) . .
C33 Ti2 C28 C22 -103.56(10) . .
C29 Ti2 C28 C22 -68.00(11) . .
C31 Ti2 C28 C22 -146.95(12) . .
C32 Ti2 C28 C22 -137.66(10) . .
C23 Ti2 C28 C27 -121.39(12) . .
C22 Ti2 C28 C27 -146.35(16) . .
C24 Ti2 C28 C27 -90.28(12) . .
C26 Ti2 C28 C27 -22.43(11) . .
C25 Ti2 C28 C27 -53.14(12) . .
C30 Ti2 C28 C27 150.53(14) . .
C33 Ti2 C28 C27 110.09(11) . .
C29 Ti2 C28 C27 145.65(10) . .
C31 Ti2 C28 C27 66.70(17) . .
C32 Ti2 C28 C27 75.99(11) . .
N4 Li4 C29 C33 -164.71(13) . .
N5 Li4 C29 C33 -67.69(17) . .
N6 Li4 C29 C33 31.0(2) . .
Li3 Li4 C29 C33 107.76(16) . .
N4 Li4 C29 C30 -40.83(19) . .
N5 Li4 C29 C30 56.19(18) . .
N6 Li4 C29 C30 154.87(14) . .
Li3 Li4 C29 C30 -128.36(17) . .
N4 Li4 C29 Li3 87.53(15) . .
N5 Li4 C29 Li3 -175.44(14) . .
N6 Li4 C29 Li3 -76.76(17) . .
N4 Li4 C29 Ti2 72.8(4) . .
N5 Li4 C29 Ti2 169.8(3) . .
N6 Li4 C29 Ti2 -91.5(4) . .
Li3 Li4 C29 Ti2 -14.8(3) . .
C22 Li3 C29 C33 -103.6(3) 2_666 .
C22 Li3 C29 C33 60.83(17) . .
Li3 Li3 C29 C33 45.2(5) 2_666 .
Ti2 Li3 C29 C33 66.14(10) . .
Li4 Li3 C29 C33 -118.62(14) . .
C22 Li3 C29 C30 134.3(3) 2_666 .
C22 Li3 C29 C30 -61.2(2) . .
Li3 Li3 C29 C30 -76.9(6) 2_666 .
Ti2 Li3 C29 C30 -55.88(14) . .
Li4 Li3 C29 C30 119.35(18) . .
C22 Li3 C29 Li4 15.0(3) 2_666 .
C22 Li3 C29 Li4 179.45(15) . .
Li3 Li3 C29 Li4 163.8(5) 2_666 .
Ti2 Li3 C29 Li4 -175.24(10) . .
C22 Li3 C29 Ti2 -169.8(3) 2_666 .
C22 Li3 C29 Ti2 -5.31(11) . .
Li3 Li3 C29 Ti2 -21.0(5) 2_666 .
Li4 Li3 C29 Ti2 175.24(10) . .
C23 Ti2 C29 C33 -147.64(10) . .
C28 Ti2 C29 C33 -73.58(11) . .
C22 Ti2 C29 C33 -108.85(10) . .
C24 Ti2 C29 C33 176.18(10) . .
C27 Ti2 C29 C33 -37.06(14) . .
C26 Ti2 C29 C33 50.4(3) . .
C25 Ti2 C29 C33 140.78(12) . .
C30 Ti2 C29 C33 110.04(13) . .
C31 Ti2 C29 C33 74.76(10) . .
C32 Ti2 C29 C33 35.00(9) . .
C23 Ti2 C29 C30 102.31(11) . .
C28 Ti2 C29 C30 176.38(10) . .
C22 Ti2 C29 C30 141.11(10) . .
C24 Ti2 C29 C30 66.14(11) . .
C27 Ti2 C29 C30 -147.10(11) . .
C26 Ti2 C29 C30 -59.6(3) . .
C25 Ti2 C29 C30 30.74(15) . .
C33 Ti2 C29 C30 -110.04(13) . .
C31 Ti2 C29 C30 -35.28(9) . .
C32 Ti2 C29 C30 -75.04(10) . .
C23 Ti2 C29 Li4 -18.4(3) . .
C28 Ti2 C29 Li4 55.7(3) . .
C22 Ti2 C29 Li4 20.4(3) . .
C24 Ti2 C29 Li4 -54.6(3) . .
C27 Ti2 C29 Li4 92.2(3) . .
C26 Ti2 C29 Li4 179.6(3) . .
C25 Ti2 C29 Li4 -90.0(3) . .
C30 Ti2 C29 Li4 -120.7(4) . .
C33 Ti2 C29 Li4 129.2(4) . .
C31 Ti2 C29 Li4 -156.0(4) . .
C32 Ti2 C29 Li4 164.2(4) . .
C23 Ti2 C29 Li3 -33.37(12) . .
C28 Ti2 C29 Li3 40.69(12) . .
C22 Ti2 C29 Li3 5.42(11) . .
C24 Ti2 C29 Li3 -69.55(12) . .
C27 Ti2 C29 Li3 77.21(14) . .
C26 Ti2 C29 Li3 164.7(3) . .
C25 Ti2 C29 Li3 -104.95(14) . .
C30 Ti2 C29 Li3 -135.69(14) . .
C33 Ti2 C29 Li3 114.27(13) . .
C31 Ti2 C29 Li3 -170.97(12) . .
C32 Ti2 C29 Li3 149.28(12) . .
C33 C29 C30 C31 -0.93(17) . .
Li4 C29 C30 C31 -133.15(14) . .
Li3 C29 C30 C31 123.95(16) . .
Ti2 C29 C30 C31 64.85(11) . .
C33 C29 C30 Ti2 -65.78(10) . .
Li4 C29 C30 Ti2 161.99(12) . .
Li3 C29 C30 Ti2 59.10(14) . .
C23 Ti2 C30 C31 153.82(11) . .
C28 Ti2 C30 C31 -126.59(15) . .
C22 Ti2 C30 C31 -169.16(10) . .
C24 Ti2 C30 C31 115.57(11) . .
C27 Ti2 C30 C31 -13.1(2) . .
C26 Ti2 C30 C31 43.95(14) . .
C25 Ti2 C30 C31 78.98(12) . .
C33 Ti2 C30 C31 -78.48(10) . .
C29 Ti2 C30 C31 -119.30(14) . .
C32 Ti2 C30 C31 -36.77(9) . .
C23 Ti2 C30 C29 -86.88(11) . .
C28 Ti2 C30 C29 -7.3(2) . .
C22 Ti2 C30 C29 -49.86(12) . .
C24 Ti2 C30 C29 -125.13(10) . .
C27 Ti2 C30 C29 106.2(2) . .
C26 Ti2 C30 C29 163.25(10) . .
C25 Ti2 C30 C29 -161.73(10) . .
C33 Ti2 C30 C29 40.82(9) . .
C31 Ti2 C30 C29 119.30(14) . .
C32 Ti2 C30 C29 82.53(10) . .
C29 C30 C31 C32 0.50(18) . .
Ti2 C30 C31 C32 63.90(11) . .
C29 C30 C31 Ti2 -63.41(11) . .
C23 Ti2 C31 C32 -154.28(11) . .
C28 Ti2 C31 C32 14.54(17) . .
C22 Ti2 C31 C32 -90.1(2) . .
C24 Ti2 C31 C32 169.55(10) . .
C27 Ti2 C31 C32 58.53(12) . .
C26 Ti2 C31 C32 94.46(11) . .
C25 Ti2 C31 C32 132.37(10) . .
C30 Ti2 C31 C32 -116.18(14) . .
C33 Ti2 C31 C32 -37.53(9) . .
C29 Ti2 C31 C32 -79.73(10) . .
C23 Ti2 C31 C30 -38.10(15) . .
C28 Ti2 C31 C30 130.72(13) . .
C22 Ti2 C31 C30 26.1(2) . .
C24 Ti2 C31 C30 -74.27(12) . .
C27 Ti2 C31 C30 174.71(10) . .
C26 Ti2 C31 C30 -149.36(11) . .
C25 Ti2 C31 C30 -111.45(11) . .
C33 Ti2 C31 C30 78.65(10) . .
C29 Ti2 C31 C30 36.45(9) . .
C32 Ti2 C31 C30 116.18(14) . .
C30 C31 C32 C33 0.18(17) . .
Ti2 C31 C32 C33 62.15(11) . .
C30 C31 C32 Ti2 -61.97(11) . .
C23 Ti2 C32 C31 71.9(3) . .
C28 Ti2 C32 C31 -172.35(9) . .
C22 Ti2 C32 C31 146.88(11) . .
C24 Ti2 C32 C31 -17.48(17) . .
C27 Ti2 C32 C31 -134.53(10) . .
C26 Ti2 C32 C31 -96.05(11) . .
C25 Ti2 C32 C31 -59.18(12) . .
C30 Ti2 C32 C31 37.66(9) . .
C33 Ti2 C32 C31 116.24(14) . .
C29 Ti2 C32 C31 80.23(10) . .
C23 Ti2 C32 C33 -44.3(3) . .
C28 Ti2 C32 C33 71.40(11) . .
C22 Ti2 C32 C33 30.63(15) . .
C24 Ti2 C32 C33 -133.73(14) . .
C27 Ti2 C32 C33 109.22(11) . .
C26 Ti2 C32 C33 147.71(10) . .
C25 Ti2 C32 C33 -175.42(10) . .
C30 Ti2 C32 C33 -78.59(10) . .
C29 Ti2 C32 C33 -36.01(9) . .
C31 Ti2 C32 C33 -116.24(14) . .
C31 C32 C33 C29 -0.80(18) . .
Ti2 C32 C33 C29 62.82(11) . .
C31 C32 C33 Ti2 -63.62(11) . .
C30 C29 C33 C32 1.04(17) . .
Li4 C29 C33 C32 132.15(14) . .
Li3 C29 C33 C32 -135.16(14) . .
Ti2 C29 C33 C32 -64.31(11) . .
C30 C29 C33 Ti2 65.35(9) . .
Li4 C29 C33 Ti2 -163.53(12) . .
Li3 C29 C33 Ti2 -70.85(10) . .
C23 Ti2 C33 C32 163.32(11) . .
C28 Ti2 C33 C32 -121.01(11) . .
C22 Ti2 C33 C32 -160.08(10) . .
C24 Ti2 C33 C32 112.06(17) . .
C27 Ti2 C33 C32 -82.46(11) . .
C26 Ti2 C33 C32 -45.58(14) . .
C25 Ti2 C33 C32 10.1(2) . .
C30 Ti2 C33 C32 78.67(10) . .
C29 Ti2 C33 C32 119.82(14) . .
C31 Ti2 C33 C32 36.78(9) . .
C23 Ti2 C33 C29 43.49(13) . .
C28 Ti2 C33 C29 119.17(9) . .
C22 Ti2 C33 C29 80.10(10) . .
C24 Ti2 C33 C29 -7.8(2) . .
C27 Ti2 C33 C29 157.72(9) . .
C26 Ti2 C33 C29 -165.40(9) . .
C25 Ti2 C33 C29 -109.70(19) . .
C30 Ti2 C33 C29 -41.15(9) . .
C31 Ti2 C33 C29 -83.04(10) . .
C32 Ti2 C33 C29 -119.82(14) . .
C35 N4 C36 C37 -77.49(16) . .
C34 N4 C36 C37 163.18(12) . .
Li4 N4 C36 C37 45.59(15) . .
C39 N5 C37 C36 150.26(12) . .
C38 N5 C37 C36 -86.44(14) . .
Li4 N5 C37 C36 38.33(14) . .
N4 C36 C37 N5 -61.88(16) . .
C38 N5 C39 C40 162.86(12) . .
C37 N5 C39 C40 -73.56(15) . .
Li4 N5 C39 C40 36.65(15) . .
C41 N6 C40 C39 -74.33(15) . .
C42 N6 C40 C39 165.49(12) . .
Li4 N6 C40 C39 39.20(16) . .
N5 C39 C40 N6 -54.62(17) . .
C48 C43 C44 C45 -0.9(2) . .
C43 C44 C45 C46 0.4(2) . .
C44 C45 C46 C47 0.3(2) . .
C45 C46 C47 C48 -0.5(2) . .
C46 C47 C48 C43 0.0(2) . .
C46 C47 C48 C49 177.50(14) . .
C44 C43 C48 C47 0.7(2) . .
C44 C43 C48 C49 -176.78(14) . .
