#------------------------------------------------------------------------------
#$Date: 2016-03-23 04:03:07 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179275 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/95/4319521.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_4319521
loop_
_publ_author_name
'Oliver Just'
'William S. Rees'
_publ_section_title
;
 Synthesis and Single-Crystal X-ray Diffraction Examination of a
 Structurally Homologous Series of Tetracoordinate Heteroleptic Anionic
 Lanthanide Complexes: Ln{N[Si(CH3)2CH2CH2Si(CH3)2]}3(μ-Cl)Li(L)3 [Ln =
 Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb; (L)3= (THF)3, (Et2O)3, (THF)2(Et2O)]
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1751
_journal_page_last               1755
_journal_paper_doi               10.1021/ic9912023
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C30 H72 Cl Li N3 O3 Si6 Tb'
_chemical_formula_weight         892.76
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 93.6350(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   25.6729(4)
_cell_length_b                   17.4492(2)
_cell_length_c                   21.2795(3)
_cell_measurement_temperature    173(2)
_cell_volume                     9513.4(2)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_av_sigmaI/netI    0.0502
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            49251
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.79
_exptl_absorpt_coefficient_mu    1.723
_exptl_crystal_density_diffrn    1.247
_exptl_crystal_F_000             3728
_refine_diff_density_max         2.468
_refine_diff_density_min         -1.271
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.064
_refine_ls_goodness_of_fit_obs   1.178
_refine_ls_matrix_type           full
_refine_ls_number_parameters     876
_refine_ls_number_reflns         16727
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.067
_refine_ls_restrained_S_obs      1.178
_refine_ls_R_factor_all          0.0784
_refine_ls_R_factor_obs          0.0506
_refine_ls_shift/esd_max         -0.002
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0807P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1525
_refine_ls_wR_factor_obs         0.1367
_reflns_number_observed          11288
_reflns_number_total             16763
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic9912023_4.cif
_cod_data_source_block           just40
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0807P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0807P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               4319521
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Tb1 Tb 0.130920(10) 0.246448(14) 0.224613(11) 0.02548(10) Uani 1 d . .
Tb2 Tb 0.371426(9) 0.756154(14) 0.031049(10) 0.02179(9) Uani 1 d . .
Cl1 Cl 0.03044(6) 0.23715(12) 0.19216(9) 0.0595(5) Uani 1 d . .
Cl2 Cl 0.46792(6) 0.76768(11) 0.07874(8) 0.0499(4) Uani 1 d . .
Si1 Si 0.09209(8) 0.17458(12) 0.36419(8) 0.0498(5) Uani 1 d . .
Si2 Si 0.19541(8) 0.13162(12) 0.34943(8) 0.0491(5) Uani 1 d . .
Si3 Si 0.14365(7) 0.11851(10) 0.10333(7) 0.0390(4) Uani 1 d . .
Si4 Si 0.23268(7) 0.21151(13) 0.11892(9) 0.0508(5) Uani 1 d . .
Si5 Si 0.11281(14) 0.43506(13) 0.19353(12) 0.1004(11) Uani 1 d . .
Si6 Si 0.19046(8) 0.41857(12) 0.29043(10) 0.0591(6) Uani 1 d . .
Si7 Si 0.34683(6) 0.87626(9) 0.15203(7) 0.0332(4) Uani 1 d . .
Si8 Si 0.25834(7) 0.78482(12) 0.12435(8) 0.0424(4) Uani 1 d . .
Si9 Si 0.38392(8) 0.56581(10) 0.06826(8) 0.0412(4) Uani 1 d . .
Si10 Si 0.31945(7) 0.58408(10) -0.04291(8) 0.0419(4) Uani 1 d . .
Si11 Si 0.42379(6) 0.83948(10) -0.09819(7) 0.0367(4) Uani 1 d . .
Si12 Si 0.31717(7) 0.87512(10) -0.09619(8) 0.0384(4) Uani 1 d . .
N1 N 0.1431(2) 0.1818(3) 0.3161(2) 0.0383(12) Uani 1 d . .
N2 N 0.1729(2) 0.1925(3) 0.1469(2) 0.0354(11) Uani 1 d . .
N3 N 0.1508(2) 0.3700(3) 0.2367(2) 0.0488(14) Uani 1 d . .
N4 N 0.3203(2) 0.8038(3) 0.1033(2) 0.0297(10) Uani 1 d . .
N5 N 0.3557(2) 0.6320(3) 0.0154(2) 0.0328(11) Uani 1 d . .
N6 N 0.3682(2) 0.8250(3) -0.0579(2) 0.0282(10) Uani 1 d . .
O1 O -0.1005(2) 0.2851(3) 0.1964(3) 0.0676(14) Uani 1 d . .
O2 O -0.0688(2) 0.1538(3) 0.1047(3) 0.080(2) Uani 1 d . .
O3 O -0.0587(2) 0.3258(3) 0.0698(2) 0.071(2) Uani 1 d . .
O4 O 0.5606(2) 0.6709(3) 0.1778(2) 0.0561(13) Uani 1 d . .
O5 O 0.5615(2) 0.8447(3) 0.1903(2) 0.0658(15) Uani 1 d . .
O6 O 0.6039(2) 0.7717(3) 0.0720(2) 0.0556(12) Uani 1 d . .
C1 C 0.1251(3) 0.1425(5) 0.4410(3) 0.074(3) Uani 1 d . .
H1A H 0.1382(3) 0.1853(5) 0.4647(3) 0.075(17) Uiso 1 calc R .
H1B H 0.1014(3) 0.1152(5) 0.4652(3) 0.075(17) Uiso 1 calc R .
C2 C 0.1697(3) 0.0906(4) 0.4232(3) 0.060(2) Uani 1 d . .
H2A H 0.1574(3) 0.0398(4) 0.4158(3) 0.058(15) Uiso 1 calc R .
H2B H 0.1964(3) 0.0895(4) 0.4561(3) 0.058(15) Uiso 1 calc R .
C3 C 0.0538(3) 0.2654(5) 0.3701(3) 0.065(2) Uani 1 d . .
H3A H 0.0321(17) 0.2618(14) 0.4045(17) 0.113(20) Uiso 1 calc R .
H3B H 0.0329(17) 0.2730(18) 0.3322(11) 0.113(20) Uiso 1 calc R .
H3C H 0.0772(3) 0.3073(6) 0.3766(27) 0.113(20) Uiso 1 calc R .
C4 C 0.0448(3) 0.0987(5) 0.3361(4) 0.088(3) Uani 1 d . .
H4A H 0.0148(18) 0.1009(41) 0.3599(35) 0.242(40) Uiso 1 calc R .
H4B H 0.0607(15) 0.0498(7) 0.3413(47) 0.242(40) Uiso 1 calc R .
H4C H 0.0349(32) 0.1067(36) 0.2928(14) 0.242(40) Uiso 1 calc R .
C5 C 0.2180(4) 0.0529(5) 0.2983(3) 0.091(3) Uani 1 d . .
H5A H 0.2389(22) 0.0180(21) 0.3231(6) 0.138(23) Uiso 1 calc R .
H5B H 0.2379(21) 0.0739(7) 0.2664(19) 0.138(23) Uiso 1 calc R .
H5C H 0.1886(4) 0.0267(24) 0.2794(24) 0.138(23) Uiso 1 calc R .
C6 C 0.2536(3) 0.1952(6) 0.3709(4) 0.092(3) Uani 1 d . .
H6A H 0.2778(29) 0.1683(32) 0.3983(59) 0.310(55) Uiso 1 calc R .
H6B H 0.2423(9) 0.2401(42) 0.3913(66) 0.310(55) Uiso 1 calc R .
H6C H 0.2699(36) 0.2092(74) 0.3337(9) 0.310(55) Uiso 1 calc R .
C7 C 0.1991(3) 0.0770(5) 0.0618(4) 0.073(2) Uani 1 d . .
H7A H 0.2170(3) 0.0395(5) 0.0874(4) 0.143(29) Uiso 1 calc R .
H7B H 0.1869(3) 0.0538(5) 0.0233(4) 0.143(29) Uiso 1 calc R .
C8 C 0.2363(4) 0.1464(7) 0.0493(5) 0.115(4) Uani 1 d . .
H8A H 0.2249(4) 0.1723(7) 0.0116(5) 0.361(84) Uiso 1 calc R .
H8B H 0.2710(4) 0.1291(7) 0.0455(5) 0.361(84) Uiso 1 calc R .
C9 C 0.1125(3) 0.0482(4) 0.1551(3) 0.063(2) Uani 1 d . .
H9A H 0.1387(3) 0.0182(18) 0.1768(17) 0.082(15) Uiso 1 calc R .
H9B H 0.0898(14) 0.0158(17) 0.1301(4) 0.082(15) Uiso 1 calc R .
H9C H 0.0930(15) 0.0749(4) 0.1847(14) 0.082(15) Uiso 1 calc R .
C10 C 0.0927(3) 0.1539(4) 0.0432(3) 0.057(2) Uani 1 d . .
H10A H 0.0743(16) 0.1115(4) 0.0246(20) 0.122(20) Uiso 1 calc R .
H10B H 0.1090(4) 0.1817(29) 0.0115(15) 0.122(20) Uiso 1 calc R .
H10C H 0.0690(14) 0.1864(27) 0.0629(6) 0.122(20) Uiso 1 calc R .
C11 C 0.2879(3) 0.1926(8) 0.1756(4) 0.125(5) Uani 1 d . .
H11A H 0.2907(28) 0.2328(33) 0.2057(32) 0.240(43) Uiso 1 calc R .
H11B H 0.3191(7) 0.1897(69) 0.1541(8) 0.240(43) Uiso 1 calc R .
H11C H 0.2825(22) 0.1454(32) 0.1965(39) 0.240(43) Uiso 1 calc R .
C12 C 0.2376(4) 0.3126(7) 0.0933(5) 0.123(4) Uani 1 d . .
H12A H 0.2725(8) 0.3298(16) 0.1007(36) 0.185 Uiso 1 calc R .
H12B H 0.2151(24) 0.3435(10) 0.1163(27) 0.185 Uiso 1 calc R .
H12C H 0.2276(31) 0.3162(10) 0.0496(10) 0.185 Uiso 1 calc R .
C13 C 0.1488(5) 0.5246(5) 0.2044(5) 0.128(4) Uani 1 d . .
H13A H 0.1736(5) 0.5296(5) 0.1734(5) 0.276(61) Uiso 1 calc R .
H13B H 0.1256(5) 0.5670(5) 0.2008(5) 0.276(61) Uiso 1 calc R .
C14 C 0.1771(4) 0.5222(5) 0.2720(4) 0.082(3) Uani 1 d . .
H14A H 0.1555(4) 0.5438(5) 0.3020(4) 0.097(21) Uiso 1 calc R .
H14B H 0.2088(4) 0.5503(5) 0.2728(4) 0.097(21) Uiso 1 calc R .
C15 C 0.0453(4) 0.4483(7) 0.2303(6) 0.155(6) Uani 1 d . .
H15A H 0.0231(15) 0.4067(34) 0.2181(43) 0.233 Uiso 1 calc R .
H15B H 0.0299(20) 0.4950(32) 0.2158(42) 0.233 Uiso 1 calc R .
H15C H 0.0504(6) 0.4495(64) 0.2749(6) 0.233 Uiso 1 calc R .
C16 C 0.0985(5) 0.4052(5) 0.1121(4) 0.118(4) Uani 1 d . .
H16A H 0.0831(23) 0.4466(13) 0.0887(8) 0.130(21) Uiso 1 calc R .
H16B H 0.0751(19) 0.3630(24) 0.1110(4) 0.130(21) Uiso 1 calc R .
H16C H 0.1300(5) 0.3905(34) 0.0942(10) 0.130(21) Uiso 1 calc R .
C17 C 0.1776(4) 0.3956(6) 0.3725(4) 0.108(4) Uani 1 d . .
H17A H 0.1965(17) 0.4298(20) 0.4001(4) 0.095(17) Uiso 1 calc R .
H17B H 0.1883(18) 0.3444(12) 0.3817(8) 0.095(17) Uiso 1 calc R .
H17C H 0.1413(5) 0.4006(29) 0.3780(7) 0.095(17) Uiso 1 calc R .
C18 C 0.2607(3) 0.3995(6) 0.2786(6) 0.127(4) Uani 1 d . .
H18A H 0.2818(3) 0.4255(47) 0.3102(29) 0.205(34) Uiso 1 calc R .
H18B H 0.2688(10) 0.4174(52) 0.2383(20) 0.205(34) Uiso 1 calc R .
H18C H 0.2671(9) 0.3460(8) 0.2815(47) 0.205(34) Uiso 1 calc R .
C19 C -0.0981(4) 0.3556(5) 0.2324(5) 0.089(3) Uani 1 d . .
H19A H -0.1298(4) 0.3834(5) 0.2259(5) 0.134 Uiso 1 calc R .
H19B H -0.0703(4) 0.3869(5) 0.2200(5) 0.134 Uiso 1 calc R .
C20 C -0.0893(3) 0.3327(5) 0.3007(5) 0.086(3) Uani 1 d . .
H20A H -0.0547(3) 0.3446(5) 0.3161(5) 0.129 Uiso 1 calc R .
H20B H -0.1131(3) 0.3586(5) 0.3258(5) 0.129 Uiso 1 calc R .
C21 C -0.0985(4) 0.2482(5) 0.3018(4) 0.076(3) Uani 1 d . .
H21A H -0.1222(4) 0.2351(5) 0.3325(4) 0.113 Uiso 1 calc R .
H21B H -0.0667(4) 0.2213(5) 0.3107(4) 0.113 Uiso 1 calc R .
C22 C -0.1212(4) 0.2301(6) 0.2361(4) 0.093(3) Uani 1 d . .
H22A H -0.1115(4) 0.1799(6) 0.2240(4) 0.139 Uiso 1 calc R .
H22B H -0.1582(4) 0.2332(6) 0.2344(4) 0.139 Uiso 1 calc R .
C23 C -0.0428(4) 0.0838(5) 0.1175(5) 0.099(3) Uani 1 d . .
H23A H -0.0555(4) 0.0593(5) 0.1533(5) 0.149 Uiso 1 calc R .
H23B H -0.0062(4) 0.0914(5) 0.1244(5) 0.149 Uiso 1 calc R .
C24 C -0.0552(7) 0.0382(9) 0.0591(8) 0.197(8) Uani 1 d . .
H24A H -0.0241(7) 0.0278(9) 0.0387(8) 0.295 Uiso 1 calc R .
H24B H -0.0705(7) -0.0093(9) 0.0696(8) 0.295 Uiso 1 calc R .
C25 C -0.0905(9) 0.0802(11) 0.0178(9) 0.286(15) Uani 1 d . .
H25A H -0.1183(9) 0.0487(11) 0.0013(9) 0.430 Uiso 1 calc R .
H25B H -0.0732(9) 0.1021(11) -0.0160(9) 0.430 Uiso 1 calc R .
C26 C -0.1090(4) 0.1385(7) 0.0587(5) 0.119(4) Uani 1 d . .
H26A H -0.1177(4) 0.1836(7) 0.0353(5) 0.178 Uiso 1 calc R .
H26B H -0.1392(4) 0.1211(7) 0.0779(5) 0.178 Uiso 1 calc R .
C27 C -0.0298(4) 0.3249(9) 0.0147(5) 0.155(6) Uani 1 d . .
H27A H -0.0308(4) 0.2758(9) -0.0045(5) 0.233 Uiso 1 calc R .
H27B H 0.0056(4) 0.3390(9) 0.0244(5) 0.233 Uiso 1 calc R .
C28 C -0.0563(6) 0.3814(10) -0.0257(7) 0.210(10) Uani 1 d . .
H28A H -0.0347(6) 0.4254(10) -0.0280(7) 0.315 Uiso 1 calc R .
H28B H -0.0617(6) 0.3609(10) -0.0669(7) 0.315 Uiso 1 calc R .
C29 C -0.1017(5) 0.4019(8) -0.0050(5) 0.147(6) Uani 1 d . .
H29A H -0.1296(5) 0.3790(8) -0.0298(5) 0.221 Uiso 1 calc R .
H29B H -0.1057(5) 0.4560(8) -0.0068(5) 0.221 Uiso 1 calc R .
C30 C -0.1014(6) 0.3748(8) 0.0607(6) 0.178(8) Uani 1 d . .
H30A H -0.0981(6) 0.4169(8) 0.0890(6) 0.266 Uiso 1 calc R .
H30B H -0.1329(6) 0.3484(8) 0.0676(6) 0.266 Uiso 1 calc R .
C31 C 0.3443(4) 0.4772(4) 0.0507(3) 0.076(3) Uani 1 d . .
H31A H 0.3637(4) 0.4325(4) 0.0622(3) 0.089(19) Uiso 1 calc R .
H31B H 0.3133(4) 0.4777(4) 0.0729(3) 0.089(19) Uiso 1 calc R .
C32 C 0.3310(3) 0.4795(4) -0.0220(3) 0.070(2) Uani 1 d . .
H32A H 0.3007(3) 0.4500(4) -0.0328(3) 0.155(32) Uiso 1 calc R .
H32B H 0.3592(3) 0.4596(4) -0.0438(3) 0.155(32) Uiso 1 calc R .
C33 C 0.3811(3) 0.5992(4) 0.1512(3) 0.053(2) Uani 1 d . .
H33A H 0.3990(14) 0.6467(12) 0.1563(5) 0.069(13) Uiso 1 calc R .
H33B H 0.3973(14) 0.5622(11) 0.1788(3) 0.069(13) Uiso 1 calc R .
H33C H 0.3457(3) 0.6056(23) 0.1607(7) 0.069(13) Uiso 1 calc R .
C34 C 0.4536(3) 0.5468(5) 0.0546(3) 0.079(3) Uani 1 d . .
H34A H 0.4672(7) 0.5102(26) 0.0842(19) 0.119(20) Uiso 1 calc R .
H34B H 0.4729(5) 0.5931(8) 0.0593(27) 0.119(20) Uiso 1 calc R .
H34C H 0.4562(4) 0.5275(32) 0.0131(11) 0.119(20) Uiso 1 calc R .
C35 C 0.3401(3) 0.6065(5) -0.1230(3) 0.072(2) Uani 1 d . .
H35A H 0.3175(16) 0.5816(30) -0.1535(3) 0.129(21) Uiso 1 calc R .
H35B H 0.3749(10) 0.5890(33) -0.1267(11) 0.129(21) Uiso 1 calc R .
H35C H 0.3387(24) 0.6603(6) -0.1296(11) 0.129(21) Uiso 1 calc R .
C36 C 0.2483(3) 0.6045(5) -0.0429(4) 0.068(2) Uani 1 d . .
H36A H 0.2358(5) 0.5888(27) -0.0039(10) 0.092(16) Uiso 1 calc R .
H36B H 0.2304(3) 0.5773(23) -0.0763(15) 0.092(16) Uiso 1 calc R .
H36C H 0.2426(3) 0.6579(6) -0.0484(24) 0.092(16) Uiso 1 calc R .
C37 C 0.3970(2) 0.8743(4) -0.1776(3) 0.050(2) Uani 1 d . .
H37A H 0.4222(2) 0.9041(4) -0.1975(3) 0.158(31) Uiso 1 calc R .
H37B H 0.3870(2) 0.8325(4) -0.2042(3) 0.158(31) Uiso 1 calc R .
C38 C 0.3493(3) 0.9234(4) -0.1634(3) 0.053(2) Uani 1 d . .
H38A H 0.3257(3) 0.9264(4) -0.1995(3) 0.103(22) Uiso 1 calc R .
H38B H 0.3600(3) 0.9739(4) -0.1518(3) 0.103(22) Uiso 1 calc R .
C39 C 0.4672(3) 0.9166(4) -0.0600(3) 0.059(2) Uani 1 d . .
H39A H 0.4957(10) 0.9261(19) -0.0853(11) 0.086(15) Uiso 1 calc R .
H39B H 0.4800(14) 0.9000(11) -0.0194(9) 0.086(15) Uiso 1 calc R .
H39C H 0.4475(5) 0.9624(8) -0.0562(19) 0.086(15) Uiso 1 calc R .
C40 C 0.4637(3) 0.7503(4) -0.1059(4) 0.059(2) Uani 1 d . .
H40A H 0.4775(28) 0.7347(28) -0.0654(6) 0.181(31) Uiso 1 calc R .
H40B H 0.4915(20) 0.7603(14) -0.1321(33) 0.181(31) Uiso 1 calc R .
H40C H 0.4423(8) 0.7107(15) -0.1240(37) 0.181(31) Uiso 1 calc R .
C41 C 0.2634(3) 0.8103(5) -0.1274(4) 0.079(3) Uani 1 d . .
H41A H 0.2371(13) 0.8398(7) -0.1495(29) 0.149(25) Uiso 1 calc R .
H41B H 0.2488(18) 0.7844(31) -0.0934(5) 0.149(25) Uiso 1 calc R .
H41C H 0.2770(6) 0.7738(26) -0.1552(26) 0.149(25) Uiso 1 calc R .
C42 C 0.2878(3) 0.9465(5) -0.0462(3) 0.072(2) Uani 1 d . .
H42A H 0.2574(12) 0.9671(22) -0.0678(10) 0.107(18) Uiso 1 calc R .
H42B H 0.3121(8) 0.9865(16) -0.0368(21) 0.107(18) Uiso 1 calc R .
H42C H 0.2787(19) 0.9229(8) -0.0082(11) 0.107(18) Uiso 1 calc R .
C43 C 0.2865(3) 0.9192(4) 0.1841(3) 0.055(2) Uani 1 d . .
H43A H 0.2950(3) 0.9434(4) 0.2234(3) 0.092(19) Uiso 1 calc R .
H43B H 0.2716(3) 0.9563(4) 0.1557(3) 0.092(19) Uiso 1 calc R .
C44 C 0.2487(3) 0.8539(5) 0.1922(3) 0.062(2) Uani 1 d . .
H44A H 0.2139(3) 0.8723(5) 0.1904(3) 0.206(42) Uiso 1 calc R .
H44B H 0.2560(3) 0.8291(5) 0.2315(3) 0.206(42) Uiso 1 calc R .
C45 C 0.3889(2) 0.8361(4) 0.2190(3) 0.044(2) Uani 1 d . .
H45A H 0.4024(13) 0.8768(4) 0.2449(11) 0.066(12) Uiso 1 calc R .
H45B H 0.4170(9) 0.8082(20) 0.2030(3) 0.066(12) Uiso 1 calc R .
H45C H 0.3688(5) 0.8029(18) 0.2432(12) 0.066(12) Uiso 1 calc R .
C46 C 0.3865(3) 0.9471(4) 0.1067(3) 0.056(2) Uani 1 d . .
H46A H 0.4069(20) 0.9200(5) 0.0783(23) 0.141(23) Uiso 1 calc R .
H46B H 0.4089(19) 0.9754(27) 0.1354(4) 0.141(23) Uiso 1 calc R .
H46C H 0.3636(3) 0.9813(25) 0.0838(25) 0.141(23) Uiso 1 calc R .
C47 C 0.2487(3) 0.6850(5) 0.1491(4) 0.077(3) Uani 1 d . .
H47A H 0.2133(5) 0.6777(9) 0.1584(23) 0.099(17) Uiso 1 calc R .
H47B H 0.2708(14) 0.6744(9) 0.1856(14) 0.099(17) Uiso 1 calc R .
H47C H 0.2570(18) 0.6513(5) 0.1162(9) 0.099(17) Uiso 1 calc R .
C48 C 0.2076(3) 0.8043(6) 0.0593(4) 0.082(3) Uani 1 d . .
H48A H 0.1740(3) 0.7931(33) 0.0733(10) 0.111(19) Uiso 1 calc R .
H48B H 0.2139(14) 0.7730(24) 0.0241(11) 0.111(19) Uiso 1 calc R .
H48C H 0.2091(15) 0.8567(9) 0.0475(19) 0.111(19) Uiso 1 calc R .
C49 C 0.5245(3) 0.6504(6) 0.2257(4) 0.086(3) Uani 1 d . .
H49A H 0.4962(3) 0.6207(6) 0.2079(4) 0.129 Uiso 1 calc R .
H49B H 0.5109(3) 0.6950(6) 0.2445(4) 0.129 Uiso 1 calc R .
C50 C 0.5573(3) 0.6043(6) 0.2735(4) 0.089(3) Uani 1 d . .
H50A H 0.5734(3) 0.6364(6) 0.3051(4) 0.134 Uiso 1 calc R .
H50B H 0.5369(3) 0.5667(6) 0.2929(4) 0.134 Uiso 1 calc R .
C51 C 0.5968(4) 0.5680(6) 0.2344(4) 0.098(3) Uani 1 d . .
H51A H 0.6291(4) 0.5625(6) 0.2583(4) 0.147 Uiso 1 calc R .
H51B H 0.5853(4) 0.5187(6) 0.2206(4) 0.147 Uiso 1 calc R .
C52 C 0.6032(4) 0.6182(5) 0.1801(4) 0.090(3) Uani 1 d . .
H52A H 0.6354(4) 0.6448(5) 0.1849(4) 0.136 Uiso 1 calc R .
H52B H 0.6027(4) 0.5889(5) 0.1424(4) 0.136 Uiso 1 calc R .
C53 C 0.5307(3) 0.9094(4) 0.2041(4) 0.068(2) Uani 1 d . .
H53A H 0.4954(3) 0.9019(4) 0.1891(4) 0.102 Uiso 1 calc R .
H53B H 0.5437(3) 0.9542(4) 0.1851(4) 0.102 Uiso 1 calc R .
C54 C 0.5349(4) 0.9162(7) 0.2742(4) 0.106(4) Uani 1 d . .
H54A H 0.5084(4) 0.8876(7) 0.2927(4) 0.159 Uiso 1 calc R .
H54B H 0.5329(4) 0.9682(7) 0.2871(4) 0.159 Uiso 1 calc R .
C55 C 0.5878(5) 0.8833(8) 0.2908(5) 0.157(6) Uani 1 d . .
H55A H 0.6121(5) 0.9231(8) 0.3011(5) 0.236 Uiso 1 calc R .
H55B H 0.5866(5) 0.8500(8) 0.3260(5) 0.236 Uiso 1 calc R .
C56 C 0.6025(4) 0.8425(8) 0.2374(6) 0.148(6) Uani 1 d . .
H56A H 0.6329(4) 0.8647(8) 0.2221(6) 0.221 Uiso 1 calc R .
H56B H 0.6101(4) 0.7908(8) 0.2487(6) 0.221 Uiso 1 calc R .
C57 C 0.6044(3) 0.7222(5) 0.0192(4) 0.070(2) Uani 1 d . .
H57A H 0.5719(3) 0.6963(5) 0.0140(4) 0.106 Uiso 1 calc R .
H57B H 0.6309(3) 0.6847(5) 0.0266(4) 0.106 Uiso 1 calc R .
C58 C 0.6134(5) 0.7630(8) -0.0373(5) 0.109(4) Uani 1 d . .
H58A H 0.5865(5) 0.7531(8) -0.0690(5) 0.163 Uiso 1 calc R .
H58B H 0.6460(5) 0.7491(8) -0.0527(5) 0.163 Uiso 1 calc R .
C59 C 0.6134(4) 0.8443(9) -0.0181(6) 0.143(6) Uani 1 d . .
H59A H 0.5806(4) 0.8673(9) -0.0294(6) 0.215 Uiso 1 calc R .
H59B H 0.6398(4) 0.8719(9) -0.0377(6) 0.215 Uiso 1 calc R .
C60 C 0.6237(4) 0.8440(5) 0.0522(6) 0.113(4) Uani 1 d . .
H60A H 0.6600(4) 0.8482(5) 0.0633(6) 0.169 Uiso 1 calc R .
H60B H 0.6061(4) 0.8851(5) 0.0709(6) 0.169 Uiso 1 calc R .
Li1 Li -0.0512(5) 0.2532(7) 0.1368(6) 0.052(3) Uani 1 d . .
Li2 Li 0.5513(4) 0.7635(6) 0.1304(5) 0.045(3) Uani 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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tb Tb -0.1723 4.1537 '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
N3 Tb1 N2 112.0(2) . . ?
N3 Tb1 N1 111.5(2) . . ?
N2 Tb1 N1 112.3(2) . . ?
N3 Tb1 Cl1 107.70(14) . . ?
N2 Tb1 Cl1 106.88(12) . . ?
N1 Tb1 Cl1 106.00(13) . . ?
N3 Tb1 Si5 26.94(13) . . ?
N2 Tb1 Si5 109.36(14) . . ?
N1 Tb1 Si5 131.72(13) . . ?
Cl1 Tb1 Si5 83.60(7) . . ?
N3 Tb1 Si1 109.34(13) . . ?
N2 Tb1 Si1 131.76(13) . . ?
N1 Tb1 Si1 26.02(12) . . ?
Cl1 Tb1 Si1 82.58(5) . . ?
Si5 Tb1 Si1 118.76(6) . . ?
N5 Tb2 N6 113.5(2) . . ?
N5 Tb2 N4 110.8(2) . . ?
N6 Tb2 N4 112.9(2) . . ?
N5 Tb2 Cl2 106.88(13) . . ?
N6 Tb2 Cl2 105.59(11) . . ?
N4 Tb2 Cl2 106.59(12) . . ?
N5 Tb2 Si7 132.13(11) . . ?
N6 Tb2 Si7 108.07(11) . . ?
N4 Tb2 Si7 27.17(11) . . ?
Cl2 Tb2 Si7 82.90(5) . . ?
N5 Tb2 Si9 26.32(12) . . ?
N6 Tb2 Si9 135.52(11) . . ?
N4 Tb2 Si9 104.56(12) . . ?
Cl2 Tb2 Si9 84.99(5) . . ?
Si7 Tb2 Si9 116.15(4) . . ?
Li1 Cl1 Tb1 161.8(3) . . ?
Li2 Cl2 Tb2 172.0(3) . . ?
N1 Si1 C4 111.4(3) . . ?
N1 Si1 C3 113.6(3) . . ?
C4 Si1 C3 106.8(4) . . ?
N1 Si1 C1 102.8(3) . . ?
C4 Si1 C1 108.4(4) . . ?
C3 Si1 C1 113.8(4) . . ?
N1 Si1 Si2 35.6(2) . . ?
C4 Si1 Si2 112.1(3) . . ?
C3 Si1 Si2 137.8(3) . . ?
C1 Si1 Si2 68.8(2) . . ?
N1 Si1 Tb1 35.1(2) . . ?
C4 Si1 Tb1 101.6(3) . . ?
C3 Si1 Tb1 86.1(2) . . ?
C1 Si1 Tb1 136.3(2) . . ?
Si2 Si1 Tb1 70.76(5) . . ?
N1 Si2 C5 113.4(3) . . ?
N1 Si2 C2 103.4(3) . . ?
C5 Si2 C2 110.1(4) . . ?
N1 Si2 C6 112.6(3) . . ?
C5 Si2 C6 107.6(5) . . ?
C2 Si2 C6 109.6(4) . . ?
N1 Si2 Si1 35.6(2) . . ?
C5 Si2 Si1 126.5(3) . . ?
C2 Si2 Si1 67.8(2) . . ?
C6 Si2 Si1 123.8(3) . . ?
N2 Si3 C9 111.2(3) . . ?
N2 Si3 C7 102.9(3) . . ?
C9 Si3 C7 113.2(4) . . ?
N2 Si3 C10 112.4(3) . . ?
C9 Si3 C10 108.2(3) . . ?
C7 Si3 C10 108.9(3) . . ?
N2 Si3 Si4 35.24(15) . . ?
C9 Si3 Si4 133.5(2) . . ?
C7 Si3 Si4 68.9(3) . . ?
C10 Si3 Si4 114.7(2) . . ?
N2 Si4 C11 114.1(3) . . ?
N2 Si4 C12 111.5(4) . . ?
C11 Si4 C12 107.6(6) . . ?
N2 Si4 C8 104.3(4) . . ?
C11 Si4 C8 109.7(5) . . ?
C12 Si4 C8 109.6(6) . . ?
N2 Si4 Si3 35.7(2) . . ?
C11 Si4 Si3 124.3(4) . . ?
C12 Si4 Si3 125.8(3) . . ?
C8 Si4 Si3 68.7(3) . . ?
N3 Si5 C13 103.4(4) . . ?
N3 Si5 C16 113.0(4) . . ?
C13 Si5 C16 115.8(5) . . ?
N3 Si5 C15 110.5(4) . . ?
C13 Si5 C15 107.6(6) . . ?
C16 Si5 C15 106.5(5) . . ?
N3 Si5 Si6 35.4(2) . . ?
C13 Si5 Si6 70.2(3) . . ?
C16 Si5 Si6 139.8(4) . . ?
C15 Si5 Si6 109.0(4) . . ?
N3 Si5 Tb1 35.8(2) . . ?
C13 Si5 Tb1 138.3(4) . . ?
C16 Si5 Tb1 85.7(3) . . ?
C15 Si5 Tb1 98.6(4) . . ?
Si6 Si5 Tb1 70.88(7) . . ?
N3 Si6 C17 113.1(3) . . ?
N3 Si6 C18 111.2(4) . . ?
C17 Si6 C18 108.8(5) . . ?
N3 Si6 C14 104.2(3) . . ?
C17 Si6 C14 111.5(4) . . ?
C18 Si6 C14 108.0(4) . . ?
N3 Si6 Si5 35.8(2) . . ?
C17 Si6 Si5 124.1(3) . . ?
C18 Si6 Si5 124.8(4) . . ?
C14 Si6 Si5 68.5(3) . . ?
N4 Si7 C45 111.5(3) . . ?
N4 Si7 C43 101.8(3) . . ?
C45 Si7 C43 108.7(3) . . ?
N4 Si7 C46 111.7(3) . . ?
C45 Si7 C46 109.1(3) . . ?
C43 Si7 C46 113.8(3) . . ?
N4 Si7 Si8 35.33(14) . . ?
C45 Si7 Si8 111.6(2) . . ?
C43 Si7 Si8 68.3(2) . . ?
C46 Si7 Si8 135.6(2) . . ?
N4 Si7 Tb2 35.91(14) . . ?
C45 Si7 Tb2 102.7(2) . . ?
C43 Si7 Tb2 135.5(2) . . ?
C46 Si7 Tb2 83.5(2) . . ?
Si8 Si7 Tb2 71.24(5) . . ?
N4 Si8 C47 113.7(3) . . ?
N4 Si8 C48 112.7(3) . . ?
C47 Si8 C48 106.5(4) . . ?
N4 Si8 C44 104.0(3) . . ?
C47 Si8 C44 110.8(4) . . ?
C48 Si8 C44 109.1(4) . . ?
N4 Si8 Si7 36.13(15) . . ?
C47 Si8 Si7 126.8(3) . . ?
C48 Si8 Si7 124.6(3) . . ?
C44 Si8 Si7 67.9(2) . . ?
N5 Si9 C34 112.5(3) . . ?
N5 Si9 C33 111.4(3) . . ?
C34 Si9 C33 107.4(3) . . ?
N5 Si9 C31 102.7(3) . . ?
C34 Si9 C31 109.7(4) . . ?
C33 Si9 C31 113.2(3) . . ?
N5 Si9 Si10 35.2(2) . . ?
C34 Si9 Si10 114.1(2) . . ?
C33 Si9 Si10 134.7(2) . . ?
C31 Si9 Si10 69.1(2) . . ?
N5 Si9 Tb2 34.6(2) . . ?
C34 Si9 Tb2 102.3(3) . . ?
C33 Si9 Tb2 84.7(2) . . ?
C31 Si9 Tb2 135.4(3) . . ?
Si10 Si9 Tb2 69.81(5) . . ?
N5 Si10 C35 112.7(3) . . ?
N5 Si10 C36 113.1(3) . . ?
C35 Si10 C36 107.3(4) . . ?
N5 Si10 C32 103.2(3) . . ?
C35 Si10 C32 111.6(4) . . ?
C36 Si10 C32 108.9(4) . . ?
N5 Si10 Si9 35.6(2) . . ?
C35 Si10 Si9 127.4(3) . . ?
C36 Si10 Si9 123.1(3) . . ?
C32 Si10 Si9 67.6(2) . . ?
N6 Si11 C40 113.2(3) . . ?
N6 Si11 C37 103.1(3) . . ?
C40 Si11 C37 111.1(3) . . ?
N6 Si11 C39 111.9(3) . . ?
C40 Si11 C39 108.5(4) . . ?
C37 Si11 C39 109.0(3) . . ?
N6 Si11 Si12 35.85(15) . . ?
C40 Si11 Si12 136.3(3) . . ?
C37 Si11 Si12 69.0(2) . . ?
C39 Si11 Si12 112.5(2) . . ?
N6 Si12 C42 113.4(3) . . ?
N6 Si12 C41 112.3(3) . . ?
C42 Si12 C41 107.2(4) . . ?
N6 Si12 C38 103.0(3) . . ?
C42 Si12 C38 110.5(3) . . ?
C41 Si12 C38 110.4(4) . . ?
N6 Si12 Si11 35.68(14) . . ?
C42 Si12 Si11 126.6(3) . . ?
C41 Si12 Si11 123.9(3) . . ?
C38 Si12 Si11 67.4(2) . . ?
Si1 N1 Si2 108.8(3) . . ?
Si1 N1 Tb1 118.8(2) . . ?
Si2 N1 Tb1 132.4(2) . . ?
Si4 N2 Si3 109.0(2) . . ?
Si4 N2 Tb1 131.3(3) . . ?
Si3 N2 Tb1 119.7(2) . . ?
Si6 N3 Si5 108.8(3) . . ?
Si6 N3 Tb1 132.9(3) . . ?
Si5 N3 Tb1 117.3(3) . . ?
Si8 N4 Si7 108.5(2) . . ?
Si8 N4 Tb2 134.5(2) . . ?
Si7 N4 Tb2 116.9(2) . . ?
Si10 N5 Si9 109.1(3) . . ?
Si10 N5 Tb2 131.8(2) . . ?
Si9 N5 Tb2 119.1(2) . . ?
Si11 N6 Si12 108.5(2) . . ?
Si11 N6 Tb2 120.7(2) . . ?
Si12 N6 Tb2 130.8(2) . . ?
C22 O1 C19 105.5(7) . . ?
C22 O1 Li1 119.1(7) . . ?
C19 O1 Li1 125.7(6) . . ?
C26 O2 C23 106.7(7) . . ?
C26 O2 Li1 124.9(7) . . ?
C23 O2 Li1 128.2(6) . . ?
C30 O3 C27 109.8(7) . . ?
C30 O3 Li1 123.6(7) . . ?
C27 O3 Li1 125.0(7) . . ?
C52 O4 C49 109.6(5) . . ?
C52 O4 Li2 129.3(5) . . ?
C49 O4 Li2 120.7(5) . . ?
C56 O5 C53 106.0(7) . . ?
C56 O5 Li2 121.2(7) . . ?
C53 O5 Li2 132.3(5) . . ?
C57 O6 C60 106.4(6) . . ?
C57 O6 Li2 121.0(6) . . ?
C60 O6 Li2 122.6(6) . . ?
C2 C1 Si1 105.4(5) . . ?
C1 C2 Si2 106.8(5) . . ?
C8 C7 Si3 105.7(6) . . ?
C7 C8 Si4 105.7(6) . . ?
C14 C13 Si5 107.2(6) . . ?
C13 C14 Si6 106.5(6) . . ?
O1 C19 C20 106.4(7) . . ?
C21 C20 C19 105.2(8) . . ?
C20 C21 C22 104.1(8) . . ?
O1 C22 C21 105.9(7) . . ?
O2 C23 C24 103.1(10) . . ?
C25 C24 C23 109.4(12) . . ?
C24 C25 C26 102.3(12) . . ?
O2 C26 C25 107.6(10) . . ?
O3 C27 C28 103.3(9) . . ?
C29 C28 C27 112.3(10) . . ?
C28 C29 C30 106.0(10) . . ?
O3 C30 C29 106.6(8) . . ?
C32 C31 Si9 104.9(5) . . ?
C31 C32 Si10 106.2(5) . . ?
C38 C37 Si11 104.6(4) . . ?
C37 C38 Si12 106.9(4) . . ?
C44 C43 Si7 106.8(5) . . ?
C43 C44 Si8 106.0(5) . . ?
O4 C49 C50 104.4(6) . . ?
C51 C50 C49 102.8(7) . . ?
C52 C51 C50 107.4(7) . . ?
O4 C52 C51 106.8(6) . . ?
O5 C53 C54 105.3(7) . . ?
C53 C54 C55 102.2(8) . . ?
C56 C55 C54 106.8(8) . . ?
O5 C56 C55 109.4(9) . . ?
O6 C57 C58 111.8(8) . . ?
C57 C58 C59 104.1(9) . . ?
C58 C59 C60 105.5(9) . . ?
O6 C60 C59 104.7(9) . . ?
O3 Li1 O2 108.9(7) . . ?
O3 Li1 O1 105.1(6) . . ?
O2 Li1 O1 110.3(6) . . ?
O3 Li1 Cl1 119.9(6) . . ?
O2 Li1 Cl1 104.8(5) . . ?
O1 Li1 Cl1 107.8(6) . . ?
O6 Li2 O4 109.9(6) . . ?
O6 Li2 O5 108.0(6) . . ?
O4 Li2 O5 105.4(6) . . ?
O6 Li2 Cl2 110.9(5) . . ?
O4 Li2 Cl2 110.6(5) . . ?
O5 Li2 Cl2 111.8(5) . . ?
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
Tb1 N3 2.226(5) . ?
Tb1 N2 2.238(4) . ?
Tb1 N1 2.254(4) . ?
Tb1 Cl1 2.633(2) . ?
Tb1 Si5 3.383(2) . ?
Tb1 Si1 3.430(2) . ?
Tb2 N5 2.224(5) . ?
Tb2 N6 2.240(4) . ?
Tb2 N4 2.243(4) . ?
Tb2 Cl2 2.6246(15) . ?
Tb2 Si7 3.4096(15) . ?
Tb2 Si9 3.425(2) . ?
Cl1 Li1 2.354(12) . ?
Cl2 Li2 2.345(11) . ?
Si1 N1 1.717(5) . ?
Si1 C4 1.869(9) . ?
Si1 C3 1.872(7) . ?
Si1 C1 1.878(7) . ?
Si1 Si2 2.793(3) . ?
Si2 N1 1.719(5) . ?
Si2 C5 1.868(8) . ?
Si2 C2 1.882(7) . ?
Si2 C6 1.893(9) . ?
Si3 N2 1.733(5) . ?
Si3 C9 1.862(7) . ?
Si3 C7 1.869(7) . ?
Si3 C10 1.876(7) . ?
Si3 Si4 2.806(3) . ?
Si4 N2 1.713(5) . ?
Si4 C11 1.833(9) . ?
Si4 C12 1.852(11) . ?
Si4 C8 1.874(9) . ?
Si5 N3 1.724(5) . ?
Si5 C13 1.823(9) . ?
Si5 C16 1.823(8) . ?
Si5 C15 1.959(11) . ?
Si5 Si6 2.791(3) . ?
Si6 N3 1.707(5) . ?
Si6 C17 1.843(9) . ?
Si6 C18 1.865(9) . ?
Si6 C14 1.877(8) . ?
Si7 N4 1.746(5) . ?
Si7 C45 1.870(6) . ?
Si7 C43 1.886(6) . ?
Si7 C46 1.903(6) . ?
Si7 Si8 2.808(2) . ?
Si8 N4 1.713(4) . ?
Si8 C47 1.841(8) . ?
Si8 C48 1.870(8) . ?
Si8 C44 1.908(7) . ?
Si9 N5 1.738(5) . ?
Si9 C34 1.860(7) . ?
Si9 C33 1.864(6) . ?
Si9 C31 1.876(8) . ?
Si9 Si10 2.818(2) . ?
Si10 N5 1.721(5) . ?
Si10 C35 1.858(7) . ?
Si10 C36 1.860(7) . ?
Si10 C32 1.897(7) . ?
Si11 N6 1.728(4) . ?
Si11 C40 1.876(7) . ?
Si11 C37 1.884(6) . ?
Si11 C39 1.896(7) . ?
Si11 Si12 2.810(2) . ?
Si12 N6 1.735(4) . ?
Si12 C42 1.830(7) . ?
Si12 C41 1.874(8) . ?
Si12 C38 1.894(6) . ?
O1 C22 1.405(10) . ?
O1 C19 1.449(10) . ?
O1 Li1 1.931(13) . ?
O2 C26 1.401(10) . ?
O2 C23 1.412(10) . ?
O2 Li1 1.908(13) . ?
O3 C30 1.394(11) . ?
O3 C27 1.427(9) . ?
O3 Li1 1.908(13) . ?
O4 C52 1.428(8) . ?
O4 C49 1.466(8) . ?
O4 Li2 1.912(11) . ?
O5 C56 1.407(9) . ?
O5 C53 1.419(8) . ?
O5 Li2 1.913(13) . ?
O6 C57 1.418(9) . ?
O6 C60 1.432(10) . ?
O6 Li2 1.897(11) . ?
C1 C2 1.525(9) . ?
C7 C8 1.574(13) . ?
C13 C14 1.570(12) . ?
C19 C20 1.510(12) . ?
C20 C21 1.494(11) . ?
C21 C22 1.513(13) . ?
C23 C24 1.493(14) . ?
C24 C25 1.42(2) . ?
C25 C26 1.44(2) . ?
C27 C28 1.448(15) . ?
C28 C29 1.323(14) . ?
C29 C30 1.475(13) . ?
C31 C32 1.562(9) . ?
C37 C38 1.540(9) . ?
C43 C44 1.513(10) . ?
C49 C50 1.510(10) . ?
C50 C51 1.494(11) . ?
C51 C52 1.466(11) . ?
C53 C54 1.494(10) . ?
C54 C55 1.495(13) . ?
C55 C56 1.413(14) . ?
C57 C58 1.428(12) . ?
C58 C59 1.48(2) . ?
C59 C60 1.502(14) . ?
