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#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/86/7108653.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_7108653
loop_
_publ_author_name
'Zhu, Xiancui'
'Zhou, Shuangliu'
'Wang, Shaowu'
'Wei, Yun'
'Zhang, Lijun'
'Wang, Fenhua'
'Wang, Shaoyin'
'Feng, Zhijun'
_publ_section_title
;
 Rare-earth metal complexes having an unusual indolyl-1,2-dianion through
 C--H activation with a novel \h1:(\m2--\h1:\h1) bonding with metals
;
_journal_coden_ASTM              CHCOFS
_journal_issue                   98
_journal_name_full
;
 Chemical Communications (Cambridge, United Kingdom)
;
_journal_page_first              12020
_journal_page_last               12022
_journal_paper_doi               10.1039/c2cc36045d
_journal_volume                  48
_journal_year                    2012
_chemical_formula_sum            'C38 H70 Li N6 Si4 Y'
_chemical_formula_weight         819.21
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 124.166(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.431(2)
_cell_length_b                   15.176(3)
_cell_length_c                   15.3466(17)
_cell_measurement_temperature    293(2)
_cell_volume                     2395.5(7)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.1383
_diffrn_reflns_av_sigmaI/netI    0.1691
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            20090
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    1.348
_exptl_absorpt_correction_T_max  0.7650
_exptl_absorpt_correction_T_min  0.7041
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.136
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             876
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.413
_refine_diff_density_min         -0.371
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     240
_refine_ls_number_reflns         5483
_refine_ls_number_restraints     30
_refine_ls_restrained_S_all      1.173
_refine_ls_R_factor_all          0.1974
_refine_ls_R_factor_gt           0.0620
_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)+(0.0100P)²+1.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0870
_refine_ls_wR_factor_ref         0.1067
_reflns_number_gt                2306
_reflns_number_total             5483
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2cc36045d.txt
_cod_data_source_block           110817a_0m
_cod_original_sg_symbol_H-M      P2/c
_cod_database_code               7108653
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Y1 Y 1.0000 0.26362(4) 0.7500 0.0451(2) Uani 1 2 d S
Si1 Si 0.71852(14) 0.33502(11) 0.73885(12) 0.0757(5) Uani 1 1 d U
Si2 Si 0.77530(15) 0.40131(9) 0.58640(11) 0.0654(5) Uani 1 1 d .
N1 N 1.0330(4) 0.1505(2) 0.8628(3) 0.0591(11) Uani 1 1 d .
N2 N 0.8471(4) -0.1157(3) 0.7595(3) 0.0545(11) Uani 1 1 d .
N3 N 0.8158(3) 0.3371(2) 0.6928(3) 0.0486(10) Uani 1 1 d .
C1 C 0.9316(5) 0.0947(4) 0.8354(4) 0.0647(15) Uani 1 1 d .
H1 H 0.8455 0.1135 0.7958 0.078 Uiso 1 1 calc R
C2 C 0.9646(5) 0.0115(3) 0.8694(4) 0.0531(13) Uani 1 1 d .
C3 C 1.1036(6) 0.0102(3) 0.9261(4) 0.0530(14) Uani 1 1 d .
C4 C 1.1411(5) 0.0964(3) 0.9184(3) 0.0488(12) Uani 1 1 d .
C5 C 1.2714(6) 0.1187(4) 0.9655(4) 0.0739(16) Uani 1 1 d .
H5 H 1.2962 0.1757 0.9620 0.089 Uiso 1 1 calc R
C6 C 1.3607(6) 0.0533(5) 1.0169(5) 0.0902(19) Uani 1 1 d .
H6 H 1.4478 0.0657 1.0457 0.108 Uiso 1 1 calc R
C7 C 1.3271(7) -0.0307(5) 1.0279(5) 0.094(2) Uani 1 1 d .
H7 H 1.3917 -0.0726 1.0660 0.112 Uiso 1 1 calc R
C8 C 1.1996(7) -0.0529(3) 0.9832(4) 0.0731(17) Uani 1 1 d .
H8 H 1.1774 -0.1095 0.9910 0.088 Uiso 1 1 calc R
C9 C 0.8802(5) -0.0645(3) 0.8536(4) 0.0722(16) Uani 1 1 d .
H9A H 0.9249 -0.1022 0.9153 0.087 Uiso 1 1 calc R
H9B H 0.8011 -0.0433 0.8449 0.087 Uiso 1 1 calc R
C10 C 0.7886(5) -0.2042(3) 0.7488(4) 0.0632(15) Uani 1 1 d .
C11 C 0.7347(5) -0.2356(3) 0.6384(4) 0.0915(18) Uani 1 1 d .
H11A H 0.6741 -0.1930 0.5888 0.137 Uiso 1 1 calc R
H11B H 0.6913 -0.2910 0.6268 0.137 Uiso 1 1 calc R
H11C H 0.8045 -0.2429 0.6292 0.137 Uiso 1 1 calc R
C12 C 0.6804(6) -0.2020(4) 0.7671(4) 0.105(2) Uani 1 1 d .
H12A H 0.7149 -0.1827 0.8377 0.157 Uiso 1 1 calc R
H12B H 0.6441 -0.2599 0.7569 0.157 Uiso 1 1 calc R
H12C H 0.6137 -0.1619 0.7181 0.157 Uiso 1 1 calc R
C13 C 0.8964(5) -0.2660(3) 0.8280(4) 0.0915(18) Uani 1 1 d .
H13A H 0.9619 -0.2700 0.8134 0.137 Uiso 1 1 calc R
H13B H 0.8608 -0.3234 0.8226 0.137 Uiso 1 1 calc R
H13C H 0.9345 -0.2435 0.8979 0.137 Uiso 1 1 calc R
C16 C 0.6619(7) 0.4445(4) 0.7473(6) 0.173(3) Uani 1 1 d U
H16A H 0.7338 0.4848 0.7802 0.259 Uiso 1 1 calc R
H16B H 0.6255 0.4408 0.7883 0.259 Uiso 1 1 calc R
H16C H 0.5967 0.4651 0.6777 0.259 Uiso 1 1 calc R
C15 C 0.5761(6) 0.2629(5) 0.6576(5) 0.171(3) Uani 1 1 d U
H15A H 0.5063 0.2965 0.6008 0.257 Uiso 1 1 calc R
H15B H 0.5488 0.2392 0.7002 0.257 Uiso 1 1 calc R
H15C H 0.5990 0.2156 0.6294 0.257 Uiso 1 1 calc R
C14 C 0.7977(5) 0.2914(4) 0.8736(4) 0.0986(19) Uani 1 1 d U
H14A H 0.8494 0.2410 0.8820 0.148 Uiso 1 1 calc R
H14B H 0.7325 0.2745 0.8855 0.148 Uiso 1 1 calc R
H14C H 0.8524 0.3360 0.9234 0.148 Uiso 1 1 calc R
C17 C 0.6092(5) 0.3802(4) 0.4655(4) 0.122(2) Uani 1 1 d .
H17A H 0.5943 0.3178 0.4556 0.183 Uiso 1 1 calc R
H17B H 0.6031 0.4051 0.4054 0.183 Uiso 1 1 calc R
H17C H 0.5452 0.4067 0.4735 0.183 Uiso 1 1 calc R
C19 C 0.8910(5) 0.3760(3) 0.5494(4) 0.0858(18) Uani 1 1 d .
H19A H 0.9779 0.3896 0.6074 0.129 Uiso 1 1 calc R
H19B H 0.8696 0.4108 0.4894 0.129 Uiso 1 1 calc R
H19C H 0.8854 0.3146 0.5323 0.129 Uiso 1 1 calc R
C18 C 0.7892(6) 0.5212(3) 0.6103(5) 0.125(2) Uani 1 1 d .
H18A H 0.7321 0.5387 0.6308 0.187 Uiso 1 1 calc R
H18B H 0.7654 0.5518 0.5471 0.187 Uiso 1 1 calc R
H18C H 0.8772 0.5357 0.6656 0.187 Uiso 1 1 calc R
Li1 Li 1.0000 -0.0796(7) 0.7500 0.065(3) Uani 1 2 d S
H2 H 0.774(4) -0.082(3) 0.699(3) 0.079(17) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 '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
N3 Y1 N3 120.16(17) 2_756 .
N3 Y1 N1 112.16(14) 2_756 2_756
N3 Y1 N1 111.45(14) . 2_756
N3 Y1 N1 111.45(13) 2_756 .
N3 Y1 N1 112.16(14) . .
N1 Y1 N1 83.75(18) 2_756 .
N3 Y1 Si2 29.66(9) 2_756 2_756
N3 Y1 Si2 103.21(9) . 2_756
N1 Y1 Si2 140.43(11) 2_756 2_756
N1 Y1 Si2 100.67(10) . 2_756
N3 Si1 C16 113.6(3) . .
N3 Si1 C14 114.5(2) . .
C16 Si1 C14 103.3(3) . .
N3 Si1 C15 111.4(2) . .
C16 Si1 C15 108.9(4) . .
C14 Si1 C15 104.5(3) . .
N3 Si2 C18 115.2(2) . .
N3 Si2 C19 108.0(2) . .
C18 Si2 C19 105.2(3) . .
N3 Si2 C17 114.6(2) . .
C18 Si2 C17 107.1(3) . .
C19 Si2 C17 105.9(3) . .
C1 N1 C4 103.3(4) . .
C1 N1 Y1 118.9(3) . .
C4 N1 Y1 127.3(3) . .
C9 N2 C10 115.6(4) . .
C9 N2 Li1 99.7(3) . .
C10 N2 Li1 130.0(4) . .
C9 N2 H2 105(3) . .
C10 N2 H2 103(2) . .
Li1 N2 H2 101(3) . .
Si1 N3 Si2 120.4(2) . .
Si1 N3 Y1 129.39(19) . .
Si2 N3 Y1 110.20(17) . .
C2 C1 N1 115.7(5) . .
C2 C1 H1 122.1 . .
N1 C1 H1 122.1 . .
C1 C2 C3 104.5(4) . .
C1 C2 C9 129.4(5) . .
C3 C2 C9 126.1(5) . .
C8 C3 C4 118.9(5) . .
C8 C3 C2 135.0(5) . .
C4 C3 C2 106.1(5) . .
C8 C3 Li1 92.5(4) . .
C4 C3 Li1 112.8(3) . .
C2 C3 Li1 69.8(3) . .
N1 C4 C5 128.2(5) . .
N1 C4 C3 110.4(5) . .
C5 C4 C3 121.4(5) . .
C6 C5 C4 117.1(5) . .
C6 C5 H5 121.5 . .
C4 C5 H5 121.5 . .
C5 C6 C7 122.6(6) . .
C5 C6 H6 118.7 . .
C7 C6 H6 118.7 . .
C8 C7 C6 120.7(6) . .
C8 C7 H7 119.6 . .
C6 C7 H7 119.6 . .
C7 C8 C3 119.2(6) . .
C7 C8 H8 120.4 . .
C3 C8 H8 120.4 . .
N2 C9 C2 110.5(4) . .
N2 C9 H9A 109.5 . .
C2 C9 H9A 109.5 . .
N2 C9 H9B 109.5 . .
C2 C9 H9B 109.5 . .
H9A C9 H9B 108.1 . .
N2 C10 C11 106.9(4) . .
N2 C10 C13 108.1(4) . .
C11 C10 C13 109.8(4) . .
N2 C10 C12 112.7(4) . .
C11 C10 C12 109.5(4) . .
C13 C10 C12 109.8(4) . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C10 C12 H12A 109.5 . .
C10 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C10 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C10 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C10 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
Si1 C16 H16A 109.5 . .
Si1 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
Si1 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
Si1 C15 H15A 109.5 . .
Si1 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
Si1 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
Si1 C14 H14A 109.5 . .
Si1 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
Si1 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Si2 C17 H17A 109.5 . .
Si2 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
Si2 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
Si2 C19 H19A 109.5 . .
Si2 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
Si2 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
Si2 C18 H18A 109.5 . .
Si2 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
Si2 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
N2 Li1 N2 149.2(6) . 2_756
N2 Li1 C2 137.8(3) . 2_756
N2 Li1 C2 63.24(17) 2_756 2_756
N2 Li1 C3 90.20(18) . .
N2 Li1 C3 105.8(2) 2_756 .
C2 Li1 C3 106.2(4) 2_756 .
N2 Li1 C3 105.8(2) . 2_756
N2 Li1 C3 90.20(18) 2_756 2_756
C2 Li1 C3 32.24(16) 2_756 2_756
C3 Li1 C3 117.6(5) . 2_756
N2 Li1 C9 152.9(3) . 2_756
N2 Li1 C9 32.29(13) 2_756 2_756
C2 Li1 C9 32.50(13) 2_756 2_756
C3 Li1 C9 116.3(3) . 2_756
C3 Li1 C9 58.02(17) 2_756 2_756
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 N3 2.236(3) 2_756
Y1 N3 2.236(3) .
Y1 N1 2.306(4) 2_756
Y1 N1 2.306(4) .
Y1 Si2 3.2551(15) 2_756
Si1 N3 1.710(4) .
Si1 C16 1.837(6) .
Si1 C14 1.842(5) .
Si1 C15 1.846(6) .
Si2 N3 1.716(4) .
Si2 C18 1.846(5) .
Si2 C19 1.859(5) .
Si2 C17 1.872(5) .
N1 C1 1.373(5) .
N1 C4 1.385(5) .
N2 C9 1.480(5) .
N2 C10 1.492(5) .
N2 Li1 2.061(5) .
N2 H2 1.00(4) .
C1 C2 1.340(6) .
C1 H1 0.9300 .
C2 C3 1.434(6) .
C2 C9 1.484(6) .
C3 C8 1.390(6) .
C3 C4 1.416(6) .
C3 Li1 2.629(7) .
C4 C5 1.395(6) .
C5 C6 1.362(7) .
C5 H5 0.9300 .
C6 C7 1.381(7) .
C6 H6 0.9300 .
C7 C8 1.370(7) .
C7 H7 0.9300 .
C8 H8 0.9300 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.507(6) .
C10 C13 1.524(6) .
C10 C12 1.522(6) .
C11 H11A 0.9600 .
C11 H11B 0.9600 .
C11 H11C 0.9600 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
Li1 N2 2.061(5) 2_756
Li1 C2 2.523(8) 2_756
Li1 C3 2.629(7) 2_756
Li1 C9 2.731(5) 2_756
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
N3 Y1 N1 C1 -175.4(3) 2_756 .
N3 Y1 N1 C1 46.7(4) . .
N1 Y1 N1 C1 -64.0(3) 2_756 .
Si2 Y1 N1 C1 155.8(3) 2_756 .
N3 Y1 N1 C4 -36.8(4) 2_756 .
N3 Y1 N1 C4 -174.8(3) . .
N1 Y1 N1 C4 74.6(4) 2_756 .
Si2 Y1 N1 C4 -65.7(4) 2_756 .
C16 Si1 N3 Si2 -44.0(4) . .
C14 Si1 N3 Si2 -162.4(2) . .
C15 Si1 N3 Si2 79.4(4) . .
C16 Si1 N3 Y1 137.0(3) . .
C14 Si1 N3 Y1 18.6(3) . .
C15 Si1 N3 Y1 -99.6(3) . .
C18 Si2 N3 Si1 69.7(3) . .
C19 Si2 N3 Si1 -173.0(2) . .
C17 Si2 N3 Si1 -55.3(3) . .
C18 Si2 N3 Y1 -111.1(3) . .
C19 Si2 N3 Y1 6.1(3) . .
C17 Si2 N3 Y1 123.9(2) . .
N3 Y1 N3 Si1 -120.0(2) 2_756 .
N1 Y1 N3 Si1 105.8(2) 2_756 .
N1 Y1 N3 Si1 13.9(3) . .
Si2 Y1 N3 Si1 -93.6(2) 2_756 .
N3 Y1 N3 Si2 60.91(14) 2_756 .
N1 Y1 N3 Si2 -73.3(2) 2_756 .
N1 Y1 N3 Si2 -165.21(16) . .
Si2 Y1 N3 Si2 87.27(16) 2_756 .
C4 N1 C1 C2 1.1(5) . .
Y1 N1 C1 C2 148.3(3) . .
N1 C1 C2 C3 -0.1(6) . .
N1 C1 C2 C9 -179.8(4) . .
C1 C2 C3 C8 177.8(5) . .
C9 C2 C3 C8 -2.5(8) . .
C1 C2 C3 C4 -1.0(5) . .
C9 C2 C3 C4 178.8(4) . .
C1 C2 C3 Li1 -109.8(4) . .
C9 C2 C3 Li1 69.9(5) . .
C1 N1 C4 C5 -179.7(5) . .
Y1 N1 C4 C5 36.9(7) . .
C1 N1 C4 C3 -1.6(5) . .
Y1 N1 C4 C3 -145.1(3) . .
C8 C3 C4 N1 -177.3(4) . .
C2 C3 C4 N1 1.7(5) . .
Li1 C3 C4 N1 76.1(4) . .
C8 C3 C4 C5 0.9(7) . .
C2 C3 C4 C5 179.9(4) . .
Li1 C3 C4 C5 -105.7(5) . .
N1 C4 C5 C6 179.5(5) . .
C3 C4 C5 C6 1.7(7) . .
C4 C5 C6 C7 -3.4(9) . .
C5 C6 C7 C8 2.6(10) . .
C6 C7 C8 C3 0.2(9) . .
C4 C3 C8 C7 -1.8(7) . .
C2 C3 C8 C7 179.6(5) . .
Li1 C3 C8 C7 116.0(5) . .
C10 N2 C9 C2 166.7(4) . .
Li1 N2 C9 C2 23.1(5) . .
C1 C2 C9 N2 92.8(6) . .
C3 C2 C9 N2 -86.9(6) . .
C9 N2 C10 C11 167.3(4) . .
Li1 N2 C10 C11 -62.6(6) . .
C9 N2 C10 C13 -74.6(6) . .
Li1 N2 C10 C13 55.5(5) . .
C9 N2 C10 C12 46.9(6) . .
Li1 N2 C10 C12 177.1(3) . .
C9 N2 Li1 N2 126.8(3) . 2_756
C10 N2 Li1 N2 -8.8(4) . 2_756
C9 N2 Li1 C2 -110.4(6) . 2_756
C10 N2 Li1 C2 114.0(8) . 2_756
C9 N2 Li1 C3 4.4(4) . .
C10 N2 Li1 C3 -131.3(4) . .
C9 N2 Li1 C3 -114.5(4) . 2_756
C10 N2 Li1 C3 109.9(5) . 2_756
C9 N2 Li1 C9 -163.5(10) . 2_756
C10 N2 Li1 C9 60.9(12) . 2_756
C8 C3 Li1 N2 105.7(4) . .
C4 C3 Li1 N2 -131.4(5) . .
C2 C3 Li1 N2 -31.8(4) . .
C8 C3 Li1 N2 -47.6(5) . 2_756
C4 C3 Li1 N2 75.3(6) . 2_756
C2 C3 Li1 N2 174.8(5) . 2_756
C8 C3 Li1 C2 -113.7(4) . 2_756
C4 C3 Li1 C2 9.2(4) . 2_756
C2 C3 Li1 C2 108.8(4) . 2_756
C8 C3 Li1 C3 -146.3(4) . 2_756
C4 C3 Li1 C3 -23.4(3) . 2_756
C2 C3 Li1 C3 76.1(3) . 2_756
C8 C3 Li1 C9 -80.4(5) . 2_756
C4 C3 Li1 C9 42.5(6) . 2_756
C2 C3 Li1 C9 142.0(5) . 2_756
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139182903
