#------------------------------------------------------------------------------
#$Date: 2023-07-21 01:53:37 +0300 (Fri, 21 Jul 2023) $
#$Revision: 285301 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/35/7713543.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_7713543
loop_
_publ_author_name
'Roesky, Herbert W.'
'Huo, Shuai-Cong'
'Li, Yao'
'Ji, Peng-Fei'
'Zhang, De-Xiang'
'Yang, Ying'
_publ_section_title
;
 Interaction of Germanium Analogue of Organic Isonitrile with Cu(I) imide
 in Side-on Mode
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02094K
_journal_year                    2023
_chemical_formula_sum            'C46 H74 Li2 N6'
_chemical_formula_weight         724.99
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-08-12 deposited with the CCDC.	2023-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                104.378(2)
_cell_angle_beta                 98.823(2)
_cell_angle_gamma                99.932(2)
_cell_formula_units_Z            1
_cell_length_a                   10.2780(4)
_cell_length_b                   10.8626(4)
_cell_length_c                   11.2179(5)
_cell_measurement_reflns_used    9449
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.46
_cell_measurement_theta_min      2.51
_cell_volume                     1169.48(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0285
_diffrn_reflns_av_unetI/netI     0.0258
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            18908
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.502
_diffrn_reflns_theta_min         1.915
_exptl_absorpt_coefficient_mu    0.060
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4832
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.029
_exptl_crystal_description       block
_exptl_crystal_F_000             398
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.545
_exptl_crystal_size_min          0.222
_refine_diff_density_max         0.361
_refine_diff_density_min         -0.290
_refine_diff_density_rms         0.042
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         5248
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.0908
_refine_ls_R_factor_gt           0.0642
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1203P)²+0.1787P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1935
_refine_ls_wR_factor_ref         0.2169
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3537
_reflns_number_total             5248
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt02094k2.cif
_cod_data_source_block           ArNHLiNHC
_cod_database_code               7713543
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 1.0375(3) 0.0466(3) 0.4133(3) 0.0507(6) Uani 1 1 d . . . . .
N1 N 1.18889(15) 0.24687(14) 0.28826(14) 0.0563(4) Uani 1 1 d . . . . .
N2 N 0.98744(16) 0.17677(16) 0.18391(14) 0.0618(4) Uani 1 1 d . . . . .
N3 N 0.86838(14) -0.08554(13) 0.40311(13) 0.0456(3) Uani 1 1 d . . . . .
C1 C 0.82042(15) -0.20945(14) 0.32252(14) 0.0422(4) Uani 1 1 d . . . . .
C2 C 0.68887(16) -0.25260(17) 0.24361(15) 0.0513(4) Uani 1 1 d . . . . .
C3 C 0.6477(2) -0.3811(2) 0.16965(18) 0.0687(6) Uani 1 1 d . . . . .
H0BA H 0.561683 -0.408845 0.118963 0.082 Uiso 1 1 calc R U . . .
C4 C 0.7292(3) -0.4685(2) 0.1687(2) 0.0783(7) Uani 1 1 d . . . . .
H4 H 0.698325 -0.554423 0.119350 0.094 Uiso 1 1 calc R U . . .
C5 C 0.8569(2) -0.42744(19) 0.2415(2) 0.0682(5) Uani 1 1 d . . . . .
H5 H 0.912779 -0.486440 0.239968 0.082 Uiso 1 1 calc R U . . .
C6 C 0.90553(17) -0.30033(16) 0.31751(15) 0.0498(4) Uani 1 1 d . . . . .
C7 C 1.04868(18) -0.25668(19) 0.39307(17) 0.0575(5) Uani 1 1 d . . . . .
H7 H 1.046872 -0.190496 0.469812 0.069 Uiso 1 1 calc R U . . .
C8 C 1.1061(3) -0.3628(3) 0.4356(3) 0.1168(11) Uani 1 1 d . . . . .
H8A H 1.046713 -0.402046 0.480593 0.175 Uiso 1 1 calc R U . . .
H8B H 1.193369 -0.325181 0.489472 0.175 Uiso 1 1 calc R U . . .
H8C H 1.114396 -0.427940 0.363339 0.175 Uiso 1 1 calc R U . . .
C9 C 1.1422(2) -0.1892(3) 0.3240(2) 0.0926(8) Uani 1 1 d . . . . .
H9A H 1.162294 -0.253366 0.257714 0.139 Uiso 1 1 calc R U . . .
H9B H 1.224394 -0.140697 0.381926 0.139 Uiso 1 1 calc R U . . .
H9C H 1.098652 -0.130959 0.288954 0.139 Uiso 1 1 calc R U . . .
C10 C 0.59504(18) -0.1593(2) 0.24259(19) 0.0648(5) Uani 1 1 d . . . . .
H10 H 0.650882 -0.074120 0.249378 0.078 Uiso 1 1 calc R U . . .
C11 C 0.4870(3) -0.1954(3) 0.1221(3) 0.1071(10) Uani 1 1 d . . . . .
H11A H 0.528965 -0.209194 0.050532 0.161 Uiso 1 1 calc R U . . .
H11B H 0.440299 -0.125994 0.123179 0.161 Uiso 1 1 calc R U . . .
H11C H 0.423911 -0.273781 0.116921 0.161 Uiso 1 1 calc R U . . .
C12 C 0.5276(2) -0.1422(3) 0.3557(3) 0.0888(7) Uani 1 1 d . . . . .
H12A H 0.473962 -0.224536 0.353859 0.133 Uiso 1 1 calc R U . . .
H12B H 0.470849 -0.081010 0.352862 0.133 Uiso 1 1 calc R U . . .
H12C H 0.595539 -0.110220 0.431724 0.133 Uiso 1 1 calc R U . . .
C13 C 1.07261(18) 0.16331(18) 0.28216(16) 0.0557(4) Uani 1 1 d . . . . .
C14 C 1.1767(2) 0.31265(19) 0.19665(18) 0.0645(5) Uani 1 1 d . . . . .
C15 C 1.0497(2) 0.2680(2) 0.13069(18) 0.0689(5) Uani 1 1 d . . . . .
C16 C 0.9857(3) 0.3029(3) 0.0183(2) 0.1017(9) Uani 1 1 d . . . . .
H16A H 1.047047 0.372434 0.003824 0.153 Uiso 1 1 calc R U . . .
H16B H 0.904260 0.330439 0.032871 0.153 Uiso 1 1 calc R U . . .
H16C H 0.964838 0.228293 -0.054095 0.153 Uiso 1 1 calc R U . . .
C17 C 1.2878(3) 0.4100(3) 0.1768(3) 0.1002(9) Uani 1 1 d . . . . .
H17A H 1.252638 0.446319 0.112299 0.150 Uiso 1 1 calc R U . . .
H17B H 1.357870 0.367573 0.151743 0.150 Uiso 1 1 calc R U . . .
H17C H 1.324072 0.478251 0.253716 0.150 Uiso 1 1 calc R U . . .
C18 C 1.30604(19) 0.2646(2) 0.3881(2) 0.0662(5) Uani 1 1 d . . . . .
H18 H 1.281814 0.199938 0.432802 0.079 Uiso 1 1 calc R U . . .
C19 C 1.3335(2) 0.3967(2) 0.4838(2) 0.0824(7) Uani 1 1 d . . . . .
H19A H 1.356617 0.463823 0.443967 0.124 Uiso 1 1 calc R U . . .
H19B H 1.406930 0.403040 0.550708 0.124 Uiso 1 1 calc R U . . .
H19C H 1.254201 0.407019 0.517237 0.124 Uiso 1 1 calc R U . . .
C20 C 1.4286(3) 0.2348(3) 0.3366(3) 0.1067(9) Uani 1 1 d . . . . .
H20A H 1.403452 0.152563 0.272962 0.160 Uiso 1 1 calc R U . . .
H20B H 1.496921 0.230915 0.403441 0.160 Uiso 1 1 calc R U . . .
H20C H 1.463114 0.302086 0.300753 0.160 Uiso 1 1 calc R U . . .
C21 C 0.8466(2) 0.1005(3) 0.1468(2) 0.0883(8) Uani 1 1 d . . . . .
H21 H 0.848715 0.049368 0.207512 0.106 Uiso 1 1 calc R U . . .
C22 C 0.7513(3) 0.1773(3) 0.1884(4) 0.1066(10) Uani 1 1 d . . . . .
H22A H 0.749398 0.243486 0.145644 0.160 Uiso 1 1 calc R U . . .
H22B H 0.778360 0.217409 0.277463 0.160 Uiso 1 1 calc R U . . .
H22C H 0.662947 0.121762 0.169789 0.160 Uiso 1 1 calc R U . . .
C23 C 0.8139(3) -0.0007(3) 0.0346(4) 0.1388(15) Uani 1 1 d . . . . .
H23A H 0.728354 -0.020752 -0.016322 0.167 Uiso 1 1 calc R U . . .
H23B H 0.877776 -0.047796 0.010988 0.167 Uiso 1 1 calc R U . . .
H1 H 0.803(2) -0.042(2) 0.397(2) 0.073(6) 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'
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 Li1 N3 101.83(12) . 2_756 ?
N3 Li1 C13 127.11(14) . . ?
N3 Li1 C13 128.11(14) 2_756 . ?
N3 Li1 Li1 51.26(10) . 2_756 ?
N3 Li1 Li1 50.57(10) 2_756 2_756 ?
C13 Li1 Li1 165.5(2) . 2_756 ?
C13 N1 C14 112.17(16) . . ?
C13 N1 C18 120.00(15) . . ?
C14 N1 C18 127.73(16) . . ?
C13 N2 C15 111.72(16) . . ?
C13 N2 C21 120.14(19) . . ?
C15 N2 C21 128.1(2) . . ?
C1 N3 Li1 129.03(14) . . ?
C1 N3 Li1 123.99(13) . 2_756 ?
Li1 N3 Li1 78.17(12) . 2_756 ?
C1 N3 H1 107.7(14) . . ?
Li1 N3 H1 104.2(14) . . ?
Li1 N3 H1 110.1(14) 2_756 . ?
N3 C1 C6 118.73(13) . . ?
N3 C1 C2 123.55(14) . . ?
C6 C1 C2 117.72(14) . . ?
C3 C2 C1 119.20(17) . . ?
C3 C2 C10 120.69(15) . . ?
C1 C2 C10 120.11(15) . . ?
C4 C3 C2 122.41(17) . . ?
C4 C3 H0BA 118.8 . . ?
C2 C3 H0BA 118.8 . . ?
C3 C4 C5 118.95(17) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
C4 C5 C6 121.99(19) . . ?
C4 C5 H5 119.0 . . ?
C6 C5 H5 119.0 . . ?
C5 C6 C1 119.66(16) . . ?
C5 C6 C7 120.72(16) . . ?
C1 C6 C7 119.60(14) . . ?
C6 C7 C8 114.95(18) . . ?
C6 C7 C9 111.01(16) . . ?
C8 C7 C9 111.1(2) . . ?
C6 C7 H7 106.4 . . ?
C8 C7 H7 106.4 . . ?
C9 C7 H7 106.4 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C2 C10 C12 111.93(17) . . ?
C2 C10 C11 114.33(19) . . ?
C12 C10 C11 109.33(19) . . ?
C2 C10 H10 106.9 . . ?
C12 C10 H10 106.9 . . ?
C11 C10 H10 106.9 . . ?
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 . . ?
N1 C13 N2 103.43(16) . . ?
N1 C13 Li1 125.84(15) . . ?
N2 C13 Li1 130.63(15) . . ?
C15 C14 N1 106.02(17) . . ?
C15 C14 C17 128.6(2) . . ?
N1 C14 C17 125.3(2) . . ?
C14 C15 N2 106.66(17) . . ?
C14 C15 C16 127.8(2) . . ?
N2 C15 C16 125.5(2) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C14 C17 H17A 109.5 . . ?
C14 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C14 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 C19 111.54(18) . . ?
N1 C18 C20 112.29(19) . . ?
C19 C18 C20 113.5(2) . . ?
N1 C18 H18 106.3 . . ?
C19 C18 H18 106.3 . . ?
C20 C18 H18 106.3 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C23 C21 C22 122.5(3) . . ?
C23 C21 N2 116.5(2) . . ?
C22 C21 N2 112.6(2) . . ?
C23 C21 H21 99.7 . . ?
C22 C21 H21 99.7 . . ?
N2 C21 H21 99.7 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 120.0 . . ?
C21 C23 H23B 120.0 . . ?
H23A C23 H23B 120.0 . . ?
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
Li1 N3 2.022(3) . ?
Li1 N3 2.042(3) 2_756 ?
Li1 C13 2.199(3) . ?
Li1 Li1 2.563(5) 2_756 ?
N1 C13 1.352(2) . ?
N1 C14 1.392(2) . ?
N1 C18 1.463(2) . ?
N2 C13 1.353(2) . ?
N2 C15 1.392(3) . ?
N2 C21 1.479(3) . ?
N3 C1 1.3792(19) . ?
N3 H1 0.89(2) . ?
C1 C6 1.424(2) . ?
C1 C2 1.428(2) . ?
C2 C3 1.389(3) . ?
C2 C10 1.515(3) . ?
C3 C4 1.369(3) . ?
C3 H0BA 0.9300 . ?
C4 C5 1.371(3) . ?
C4 H4 0.9300 . ?
C5 C6 1.389(2) . ?
C5 H5 0.9300 . ?
C6 C7 1.512(2) . ?
C7 C8 1.525(3) . ?
C7 C9 1.526(3) . ?
C7 H7 0.9800 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C12 1.524(3) . ?
C10 C11 1.530(3) . ?
C10 H10 0.9800 . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C14 C15 1.340(3) . ?
C14 C17 1.500(3) . ?
C15 C16 1.496(3) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C19 1.514(3) . ?
C18 C20 1.515(3) . ?
C18 H18 0.9800 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 C23 1.400(4) . ?
C21 C22 1.450(4) . ?
C21 H21 0.9800 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 H23A 0.9300 . ?
C23 H23B 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Li1 N3 C1 C6 56.0(2) . . . . ?
Li1 N3 C1 C6 -47.2(2) 2_756 . . . ?
Li1 N3 C1 C2 -124.35(18) . . . . ?
Li1 N3 C1 C2 132.45(17) 2_756 . . . ?
N3 C1 C2 C3 -177.20(16) . . . . ?
C6 C1 C2 C3 2.4(2) . . . . ?
N3 C1 C2 C10 1.8(2) . . . . ?
C6 C1 C2 C10 -178.55(16) . . . . ?
C1 C2 C3 C4 -0.5(3) . . . . ?
C10 C2 C3 C4 -179.5(2) . . . . ?
C2 C3 C4 C5 -1.2(3) . . . . ?
C3 C4 C5 C6 0.9(3) . . . . ?
C4 C5 C6 C1 1.1(3) . . . . ?
C4 C5 C6 C7 -177.72(19) . . . . ?
N3 C1 C6 C5 176.94(16) . . . . ?
C2 C1 C6 C5 -2.7(2) . . . . ?
N3 C1 C6 C7 -4.2(2) . . . . ?
C2 C1 C6 C7 176.13(15) . . . . ?
C5 C6 C7 C8 -30.6(3) . . . . ?
C1 C6 C7 C8 150.6(2) . . . . ?
C5 C6 C7 C9 96.6(2) . . . . ?
C1 C6 C7 C9 -82.2(2) . . . . ?
C3 C2 C10 C12 100.1(2) . . . . ?
C1 C2 C10 C12 -78.9(2) . . . . ?
C3 C2 C10 C11 -24.9(3) . . . . ?
C1 C2 C10 C11 156.10(19) . . . . ?
C14 N1 C13 N2 0.7(2) . . . . ?
C18 N1 C13 N2 177.36(16) . . . . ?
C14 N1 C13 Li1 -176.01(16) . . . . ?
C18 N1 C13 Li1 0.7(3) . . . . ?
C15 N2 C13 N1 -0.5(2) . . . . ?
C21 N2 C13 N1 -179.59(16) . . . . ?
C15 N2 C13 Li1 175.98(17) . . . . ?
C21 N2 C13 Li1 -3.1(3) . . . . ?
C13 N1 C14 C15 -0.6(2) . . . . ?
C18 N1 C14 C15 -177.00(18) . . . . ?
C13 N1 C14 C17 -178.8(2) . . . . ?
C18 N1 C14 C17 4.8(3) . . . . ?
N1 C14 C15 N2 0.3(2) . . . . ?
C17 C14 C15 N2 178.4(2) . . . . ?
N1 C14 C15 C16 -177.4(2) . . . . ?
C17 C14 C15 C16 0.7(4) . . . . ?
C13 N2 C15 C14 0.1(2) . . . . ?
C21 N2 C15 C14 179.14(18) . . . . ?
C13 N2 C15 C16 177.9(2) . . . . ?
C21 N2 C15 C16 -3.1(3) . . . . ?
C13 N1 C18 C19 -108.8(2) . . . . ?
C14 N1 C18 C19 67.3(2) . . . . ?
C13 N1 C18 C20 122.5(2) . . . . ?
C14 N1 C18 C20 -61.4(3) . . . . ?
C13 N2 C21 C23 -108.2(3) . . . . ?
C15 N2 C21 C23 72.9(4) . . . . ?
C13 N2 C21 C22 102.7(3) . . . . ?
C15 N2 C21 C22 -76.2(3) . . . . ?
