#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/87/7008709.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_7008709
loop_
_publ_author_name
'Jantunen, Kimberly C.'
'Haftbaradaran, Farzad'
'Katz, Michael J.'
'Batchelor, Raymond J.'
'Schatte, Gabriele'
'Leznoff, Daniel B.'
_publ_section_title
;
 Synthesis and structure of diamido ether uranium(IV) and thorium(IV)
 halide "ate" complexes and their conversion to salt-free bis(alkyl)
 complexes.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3083
_journal_page_last               3091
_journal_paper_doi               10.1039/b506180f
_journal_year                    2005
_chemical_formula_moiety
' C14.50 H24.5 Cl1.50 Li0.50 N1 O1 Si1 Th0.50 '
_chemical_formula_sum            'C14.5 H24.5 Cl1.5 Li0.5 N O Si Th0.5'
_chemical_formula_weight         429.6
_chemical_name_systematic
;
?
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 99.17(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   24.157(5)
_cell_length_b                   17.397(4)
_cell_length_c                   9.239(2)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    293
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     3833.2(15)
_computing_molecular_graphics
;
CAMERON (Watkin et al 1996)
;
_computing_publication_material
;
CRYSTALS (Watkin et al 2003)
;
_computing_structure_refinement
;
CRYSTALS (Watkin et al 2003)
;
_computing_structure_solution
;
SIR92 (Altomare et al, 1994)
;
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.970
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3531
_diffrn_reflns_theta_full        51.866
_diffrn_reflns_theta_max         68.245
_diffrn_reflns_theta_min         3.144
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    14.6407
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
Higashi, T. (1999). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            ' colorless '
_exptl_crystal_density_diffrn    1.448
_exptl_crystal_description       ' block '
_exptl_crystal_F_000             1678.876
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.84
_refine_diff_density_min         -1.12
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.0002
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     190
_refine_ls_number_reflns         2355
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0761
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.000111
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
w=1/[σ²(Fo) + (0.026Fo)²]
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0873
_refine_ls_wR_factor_gt          0.0597
_refine_ls_wR_factor_ref         0.0597
_reflns_limit_h_max              28
_reflns_limit_h_min              -29
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              10
_reflns_limit_l_min              0
_reflns_number_gt                2355
_reflns_number_total             3531
_reflns_threshold_expression     I>3.00u(I)
_oxford_refine_ls_scale          0.04152(11)
_cod_data_source_file            b506180f.txt
_cod_data_source_block           {[Me3PhNON]ThCl3Li(THF)2}2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C 1 2/m 1 '
_cod_original_formula_sum
' C14.50 H24.5 Cl1.50 Li0.50 N1 O1 Si1 Th0.50 '
_cod_database_code               7008709
#BEGIN Tags that were not found in dictionaries:
_empir_absorpt_correction_t_min  0.0083
_empir_absorpt_correction_t_max  1.0000
#END Tags that were not found in dictionaries
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,-z
-x,y,-z
x,-y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Th1 Th 0.10172(2) 0.0000 0.05042(7) 0.0430 1.0000 Uani S T . . . .
Cl1 Cl 0.0851(2) 0.0000 -0.2496(5) 0.0846 1.0000 Uani S T . . . .
Cl2 Cl 0.0000 -0.0971(2) 0.0000 0.0727 1.0000 Uani S T . . . .
Cl3 Cl 0.0779(2) 0.0000 0.3273(5) 0.0718 1.0000 Uani S T . . . .
Si1 Si 0.21546(14) 0.0917(2) 0.0057(4) 0.0651 1.0000 Uani . . . . . .
O1 O 0.2022(5) 0.0000 -0.0334(14) 0.0700 1.0000 Uani S T . . . .
O2 O 0.0108(8) -0.1586(15) -0.396(2) 0.1033 0.5000 Uani D . . . 1 .
N1 N 0.1567(4) 0.1075(5) 0.0896(10) 0.0538 1.0000 Uani . . . . . .
C1 C 0.2175(7) 0.1428(12) -0.1662(17) 0.1086 1.0000 Uani . . . . . .
C2 C 0.2844(6) 0.1053(11) 0.1283(19) 0.1011 1.0000 Uani . . . . . .
C3 C 0.1518(5) 0.1791(7) 0.1635(14) 0.0627 1.0000 Uani . . . . . .
C4 C 0.1247(5) 0.2428(7) 0.0953(16) 0.0685 1.0000 Uani . . . . . .
C5 C 0.1219(6) 0.3105(8) 0.176(2) 0.0888 1.0000 Uani . . . . . .
C6 C 0.1439(6) 0.3167(9) 0.320(2) 0.0820 1.0000 Uani . . . . . .
C7 C 0.1704(6) 0.2539(9) 0.3909(19) 0.0825 1.0000 Uani . . . . . .
C8 C 0.1741(5) 0.1850(8) 0.3160(15) 0.0657 1.0000 Uani . . . . . .
C9 C 0.0987(6) 0.2391(9) -0.0669(16) 0.0860 1.0000 Uani . . . . . .
C10 C 0.1389(10) 0.3934(10) 0.399(3) 0.1505 1.0000 Uani . . . . . .
C11 C 0.2022(7) 0.1183(10) 0.4024(15) 0.0904 1.0000 Uani . . . . . .
C12 C 0.459(2) 0.000000(7) 0.280(6) 0.33(2) 1.0000 Uiso DS . . . . .
C13 C 0.4541(17) 0.000000(10) 0.112(5) 0.33(2) 1.0000 Uiso DS . . . . .
C14 C 0.5026(9) 0.000000(10) 0.075(4) 0.33(2) 1.0000 Uiso DS . . . . .
C16 C -0.0359(18) -0.198(3) -0.427(6) 0.133(16) 0.5000 Uiso D . . . 1 .
C17 C -0.0326(17) -0.255(3) -0.549(4) 0.129(14) 0.5000 Uiso D . . . 1 .
C18 C 0.0156(18) -0.230(3) -0.606(4) 0.110(13) 0.5000 Uiso D . . . 1 .
C19 C 0.0492(12) -0.184(2) -0.478(4) 0.091(9) 0.5000 Uiso D . . . 1 .
Li1 Li 0.0045(17) -0.071(3) -0.291(4) 0.063(10) 0.5000 Uiso . . . . . .
H11 H 0.2251 0.1956 -0.1461 0.16(3) 1.0000 Uiso R . . . . .
H12 H 0.2464 0.1215 -0.2127 0.16(3) 1.0000 Uiso R . . . . .
H13 H 0.1825 0.1379 -0.2291 0.16(3) 1.0000 Uiso R . . . . .
H21 H 0.2906 0.1585 0.1482 0.14(3) 1.0000 Uiso R . . . . .
H22 H 0.3134 0.0857 0.0807 0.14(3) 1.0000 Uiso R . . . . .
H23 H 0.2841 0.0785 0.2178 0.14(3) 1.0000 Uiso R . . . . .
H51 H 0.1043 0.3542 0.1268 0.15(6) 1.0000 Uiso R . . . . .
H71 H 0.1862 0.2575 0.4917 0.14(6) 1.0000 Uiso R . . . . .
H91 H 0.0932 0.1870 -0.0965 0.12(2) 1.0000 Uiso R . . . . .
H92 H 0.1235 0.2632 -0.1230 0.12(2) 1.0000 Uiso R . . . . .
H93 H 0.0637 0.2652 -0.0817 0.12(2) 1.0000 Uiso R . . . . .
H101 H 0.1707 0.4245 0.3926 0.20(2) 0.5000 Uiso R . . . . .
H102 H 0.1369 0.3838 0.4997 0.20(2) 0.5000 Uiso R . . . . .
H103 H 0.1059 0.4198 0.3558 0.20(2) 0.5000 Uiso R . . . . .
H104 H 0.1050 0.3943 0.4394 0.20(2) 0.5000 Uiso R . . . . .
H105 H 0.1698 0.3990 0.4762 0.20(2) 0.5000 Uiso R . . . . .
H106 H 0.1388 0.4349 0.3324 0.20(2) 0.5000 Uiso R . . . . .
H111 H 0.2184 0.0811 0.3465 0.13(2) 1.0000 Uiso R . . . . .
H112 H 0.2312 0.1377 0.4749 0.13(2) 1.0000 Uiso R . . . . .
H113 H 0.1749 0.0931 0.4487 0.13(2) 1.0000 Uiso R . . . . .
H121 H 0.4246 0.0000 0.3191 0.36(2) 1.0000 Uiso RS . . . . .
H122 H 0.4798 -0.0446 0.3122 0.36(2) 1.0000 Uiso R . . . . .
H131 H 0.4330 -0.0446 0.0800 0.36(2) 1.0000 Uiso R . . . . .
H141 H 0.5210 -0.0446 0.1183 0.36(2) 1.0000 Uiso R . . . . .
H161 H -0.0652 -0.1624 -0.4574 0.17(5) 0.5000 Uiso R . . 1 1 .
H162 H -0.0439 -0.2257 -0.3438 0.17(5) 0.5000 Uiso R . . 1 1 .
H171 H -0.0646 -0.2507 -0.6236 0.17(5) 0.5000 Uiso R . . 1 1 .
H172 H -0.0292 -0.3059 -0.5138 0.17(5) 0.5000 Uiso R . . 1 1 .
H181 H 0.0365 -0.2738 -0.6287 0.14(5) 0.5000 Uiso R . . 1 1 .
H182 H 0.0066 -0.1990 -0.6904 0.14(5) 0.5000 Uiso R . . 1 1 .
H191 H 0.0766 -0.2153 -0.4215 0.12(5) 0.5000 Uiso R . . 1 1 .
H192 H 0.0671 -0.1405 -0.5136 0.12(5) 0.5000 Uiso R . . 1 1 .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
'Th ' -4.1491 12.3296 35.5645 0.5634 23.4219 3.4620 12.7473 17.8309 4.8070
99.1722 13.4314 International_Tables_Vol_IV_Table_2.2B
'Si ' 0.2541 0.3302 6.2915 2.4386 3.0353 32.3337 1.9891 0.6785 1.5410 81.6937
1.1407 International_Tables_Vol_IV_Table_2.2B
'Cl ' 0.3639 0.7018 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 International_Tables_Vol_IV_Table_2.2B
'O ' 0.0492 0.0322 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 International_Tables_Vol_IV_Table_2.2B
'C ' 0.0181 0.0091 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 International_Tables_Vol_IV_Table_2.2B
'H ' 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 International_Tables_Vol_IV_Table_2.2B
'Li ' 0.0008 0.0003 1.1282 3.9546 0.7508 1.0524 0.6175 85.3905 0.4653 168.2610
0.0377 International_Tables_Vol_IV_Table_2.2B
'N ' 0.0311 0.0180 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 International_Tables_Vol_IV_Table_2.2B
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 6_555 Th1 . Cl2 6_555 159.8(3) yes
N1 6_555 Th1 . Cl1 . 98.5(2) yes
Cl2 6_555 Th1 . Cl1 . 81.72(9) yes
N1 6_555 Th1 . Cl2 . 90.3(2) yes
Cl2 6_555 Th1 . Cl2 . 69.65(13) yes
Cl1 . Th1 . Cl2 . 81.72(9) yes
N1 6_555 Th1 . Cl3 . 93.2(2) yes
Cl2 6_555 Th1 . Cl3 . 81.50(8) yes
Cl1 . Th1 . Cl3 . 159.52(15) yes
Cl2 . Th1 . Cl3 . 81.50(8) yes
N1 6_555 Th1 . O1 . 60.9(3) yes
Cl2 6_555 Th1 . O1 . 136.67(15) yes
Cl1 . Th1 . O1 . 72.5(3) yes
Cl2 . Th1 . O1 . 136.67(15) yes
Cl3 . Th1 . O1 . 128.0(3) yes
N1 6_555 Th1 . N1 . 109.5(5) yes
Cl2 6_555 Th1 . N1 . 90.3(2) yes
Cl1 . Th1 . N1 . 98.5(2) yes
Cl2 . Th1 . N1 . 159.8(3) yes
Cl3 . Th1 . N1 . 93.2(2) yes
O1 . Th1 . N1 . 60.9(3) yes
Th1 . Cl1 . Li1 6_555 98.7(10) yes
Th1 . Cl1 . Li1 . 98.7(10) yes
Li1 6_555 Cl1 . Li1 . 66(2) yes
Th1 . Cl2 . Th1 2_555 110.35(13) yes
Th1 . Cl2 . Li1 5_555 85.1(9) yes
Th1 2_555 Cl2 . Li1 5_555 84.2(9) yes
Th1 . Cl2 . Li1 . 84.2(9) yes
Th1 2_555 Cl2 . Li1 . 85.1(9) yes
Li1 5_555 Cl2 . Li1 . 161.2(19) yes
Th1 . Cl3 . Li1 2_555 99.7(10) yes
Th1 . Cl3 . Li1 5_555 99.7(10) yes
Li1 2_555 Cl3 . Li1 5_555 65(2) yes
O1 . Si1 . N1 . 96.1(6) yes
O1 . Si1 . C1 . 108.0(8) yes
N1 . Si1 . C1 . 116.5(7) yes
O1 . Si1 . C2 . 112.1(7) yes
N1 . Si1 . C2 . 114.8(7) yes
C1 . Si1 . C2 . 108.6(8) yes
Th1 . O1 . Si1 . 95.1(5) yes
Th1 . O1 . Si1 6_555 95.1(5) yes
Si1 . O1 . Si1 6_555 149.0(8) yes
C16 . O2 . C19 . 111(2) yes
C16 . O2 . Li1 . 114(2) yes
C19 . O2 . Li1 . 133(2) yes
Th1 . N1 . Si1 . 107.1(5) yes
Th1 . N1 . C3 . 134.0(8) yes
Si1 . N1 . C3 . 118.9(8) yes
Si1 . C1 . H11 . 109.4 no
Si1 . C1 . H12 . 109.0 no
H11 . C1 . H12 . 109.5 no
Si1 . C1 . H13 . 110.0 no
H11 . C1 . H13 . 109.5 no
H12 . C1 . H13 . 109.5 no
Si1 . C2 . H21 . 109.8 no
Si1 . C2 . H22 . 109.0 no
H21 . C2 . H22 . 109.5 no
Si1 . C2 . H23 . 109.6 no
H21 . C2 . H23 . 109.5 no
H22 . C2 . H23 . 109.5 no
N1 . C3 . C4 . 123.2(11) yes
N1 . C3 . C8 . 119.0(11) yes
C4 . C3 . C8 . 117.8(12) yes
C3 . C4 . C5 . 119.4(14) yes
C3 . C4 . C9 . 120.1(12) yes
C5 . C4 . C9 . 120.5(13) yes
C4 . C5 . C6 . 122.9(14) yes
C4 . C5 . H51 . 118.5 no
C6 . C5 . H51 . 118.6 no
C5 . C6 . C7 . 118.9(15) yes
C5 . C6 . C10 . 119.3(17) yes
C7 . C6 . C10 . 121.8(16) yes
C6 . C7 . C8 . 120.4(15) yes
C6 . C7 . H71 . 119.8 no
C8 . C7 . H71 . 119.8 no
C3 . C8 . C7 . 120.5(13) yes
C3 . C8 . C11 . 122.2(12) yes
C7 . C8 . C11 . 117.2(12) yes
C4 . C9 . H91 . 109.8 no
C4 . C9 . H92 . 108.6 no
H91 . C9 . H92 . 109.6 no
C4 . C9 . H93 . 109.8 no
H91 . C9 . H93 . 109.6 no
H92 . C9 . H93 . 109.5 no
C6 . C10 . H101 . 109.6 no
C6 . C10 . H102 . 109.5 no
H101 . C10 . H102 . 109.3 no
C6 . C10 . H103 . 109.9 no
H101 . C10 . H103 . 109.3 no
H102 . C10 . H103 . 109.3 no
C6 . C10 . H104 . 109.7 no
H101 . C10 . H104 . 140.7 no
H102 . C10 . H104 . 56.2 no
H103 . C10 . H104 . 56.2 no
C6 . C10 . H105 . 109.4 no
H101 . C10 . H105 . 56.2 no
H102 . C10 . H105 . 56.2 no
H103 . C10 . H105 . 140.7 no
H104 . C10 . H105 . 109.3 no
C6 . C10 . H106 . 109.9 no
H101 . C10 . H106 . 56.2 no
H102 . C10 . H106 . 140.7 no
H103 . C10 . H106 . 56.2 no
H104 . C10 . H106 . 109.3 no
H105 . C10 . H106 . 109.3 no
C8 . C11 . H111 . 115.3 no
C8 . C11 . H112 . 108.5 no
H111 . C11 . H112 . 107.8 no
C8 . C11 . H113 . 107.9 no
H111 . C11 . H113 . 107.8 no
H112 . C11 . H113 . 109.5 no
H122 6_555 C12 . C13 . 105.4 no
H122 6_555 C12 . H121 . 109.5 no
C13 . C12 . H121 . 117.3 no
H122 6_555 C12 . H122 . 109.5 no
C13 . C12 . H122 . 105.4 no
H121 . C12 . H122 . 109.5 no
C12 . C13 . H131 6_555 105.2 no
C12 . C13 . C14 . 110.5(10) yes
H131 6_555 C13 . C14 . 113.0 no
C12 . C13 . H131 . 105.2 no
H131 6_555 C13 . H131 . 109.5 no
C14 . C13 . H131 . 113.0 no
C14 2_655 C14 . H141 6_555 112.5 no
C14 2_655 C14 . C13 . 109.4(10) yes
H141 6_555 C14 . C13 . 106.2 no
C14 2_655 C14 . H141 . 112.5 no
H141 6_555 C14 . H141 . 109.5 no
C13 . C14 . H141 . 106.2 no
O2 . C16 . C17 . 111(2) yes
O2 . C16 . H161 . 107.2 no
C17 . C16 . H161 . 109.0 no
O2 . C16 . H162 . 111.8 no
C17 . C16 . H162 . 108.5 no
H161 . C16 . H162 . 109.5 no
C16 . C17 . C18 . 103(2) yes
C16 . C17 . H171 . 111.2 no
C18 . C17 . H171 . 109.4 no
C16 . C17 . H172 . 111.4 no
C18 . C17 . H172 . 112.0 no
H171 . C17 . H172 . 109.5 no
C17 . C18 . C19 . 104(2) yes
C17 . C18 . H181 . 110.2 no
C19 . C18 . H181 . 110.7 no
C17 . C18 . H182 . 112.4 no
C19 . C18 . H182 . 110.3 no
H181 . C18 . H182 . 109.5 no
C18 . C19 . O2 . 106(2) yes
C18 . C19 . H191 . 110.2 no
O2 . C19 . H191 . 111.1 no
C18 . C19 . H192 . 111.1 no
O2 . C19 . H192 . 109.3 no
H191 . C19 . H192 . 109.5 no
Cl3 5_555 Li1 . Cl1 . 114.8(19) yes
Cl3 5_555 Li1 . Cl2 . 93.6(14) yes
Cl1 . Li1 . Cl2 . 95.3(13) yes
Cl3 5_555 Li1 . O2 . 121(2) yes
Cl1 . Li1 . O2 . 113(2) yes
Cl2 . Li1 . O2 . 114(2) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Th1 . N1 6_555 2.289(9) yes
Th1 . Cl2 6_555 2.957(2) yes
Th1 . Cl1 . 2.737(5) yes
Th1 . Cl2 . 2.957(2) yes
Th1 . Cl3 . 2.710(5) yes
Th1 . O1 . 2.664(13) yes
Th1 . N1 . 2.289(9) yes
Cl1 . Li1 6_555 2.29(4) yes
Cl1 . Li1 . 2.29(4) yes
Cl2 . Li1 5_555 2.74(4) yes
Cl2 . Li1 . 2.74(4) yes
Cl3 . Li1 2_555 2.32(4) yes
Cl3 . Li1 5_555 2.32(4) yes
Si1 . O1 . 1.656(5) yes
Si1 . N1 . 1.743(10) yes
Si1 . C1 . 1.828(15) yes
Si1 . C2 . 1.873(14) yes
O2 . C16 . 1.31(4) yes
O2 . C19 . 1.35(3) yes
O2 . Li1 . 1.83(5) yes
N1 . C3 . 1.435(15) yes
C1 . H11 . 0.950 no
C1 . H12 . 0.950 no
C1 . H13 . 0.950 no
C2 . H21 . 0.950 no
C2 . H22 . 0.950 no
C2 . H23 . 0.950 no
C3 . C4 . 1.386(17) yes
C3 . C8 . 1.429(18) yes
C4 . C5 . 1.40(2) yes
C4 . C9 . 1.531(19) yes
C5 . C6 . 1.36(2) yes
C5 . H51 . 0.950 no
C6 . C7 . 1.38(2) yes
C6 . C10 . 1.54(2) yes
C7 . C8 . 1.394(19) yes
C7 . H71 . 0.950 no
C8 . C11 . 1.508(19) yes
C9 . H91 . 0.950 no
C9 . H92 . 0.950 no
C9 . H93 . 0.950 no
C10 . H101 . 0.950 no
C10 . H102 . 0.950 no
C10 . H103 . 0.950 no
C10 . H104 . 0.950 no
C10 . H105 . 0.950 no
C10 . H106 . 0.950 no
C11 . H111 . 0.950 no
C11 . H112 . 0.950 no
C11 . H113 . 0.950 no
C12 . H122 6_555 0.950 no
C12 . C13 . 1.54(5) yes
C12 . H121 . 0.950 no
C12 . H122 . 0.950 no
C13 . H131 6_555 0.950 no
C13 . C14 . 1.27(6) yes
C13 . H131 . 0.950 no
C14 . C14 2_655 1.38(7) yes
C14 . H141 6_555 0.950 no
C14 . H141 . 0.950 no
C16 . C17 . 1.51(5) yes
C16 . H161 . 0.950 no
C16 . H162 . 0.950 no
C17 . C18 . 1.41(4) yes
C17 . H171 . 0.950 no
C17 . H172 . 0.950 no
C18 . C19 . 1.56(4) yes
C18 . H181 . 0.950 no
C18 . H182 . 0.950 no
C19 . H191 . 0.950 no
C19 . H192 . 0.950 no
