#------------------------------------------------------------------------------
#$Date: 2017-05-06 01:25:49 +0300 (Sat, 06 May 2017) $
#$Revision: 196527 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/58/4345858.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_4345858
loop_
_publ_author_name
'Guo, Liping'
'Wang, Shaowu'
'Wei, Yun'
'Zhou, Shuangliu'
'Zhu, Xiancui'
'Mu, Xiaolong'
_publ_section_title
;
 Reactivity of 1,3-Disubstituted Indoles with Lithium Compounds:
 Substituents and Solvents Effects on Coordination and Reactivity of
 Resulting 1,3-Disubstituted-2-Indolyl Lithium Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_paper_doi               10.1021/acs.inorgchem.7b00179
_journal_year                    2017
_chemical_formula_sum            'C48 H58 Li2 N4 O2'
_chemical_formula_weight         736.86
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 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                 107.701(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.9434(16)
_cell_length_b                   23.059(3)
_cell_length_c                   17.755(3)
_cell_measurement_reflns_used    4407
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.45
_cell_measurement_theta_min      2.41
_cell_volume                     4268.2(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0592
_diffrn_reflns_av_sigmaI/netI    0.0456
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21341
_diffrn_reflns_theta_full        25.41
_diffrn_reflns_theta_max         25.41
_diffrn_reflns_theta_min         1.77
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.069
_exptl_absorpt_correction_T_max  0.9863
_exptl_absorpt_correction_T_min  0.9850
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.147
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1584
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.449
_refine_diff_density_min         -0.484
_refine_diff_density_rms         0.066
_refine_ls_extinction_coef       0.0018(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3909
_refine_ls_number_restraints     649
_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.1446
_refine_ls_R_factor_gt           0.1071
_refine_ls_shift/su_max          0.032
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1012P)²+21.8046P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2815
_refine_ls_wR_factor_ref         0.3040
_reflns_number_gt                2587
_reflns_number_total             3909
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic7b00179_si_003.cif
_cod_data_source_block           complex_5
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4345858
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3401(3) 0.87100(14) 0.16725(19) 0.0458(7) Uani 1 1 d U A .
C2 C 0.2385(3) 0.84307(14) 0.18487(19) 0.0441(8) Uani 1 1 d U . .
C3 C 0.1178(3) 0.86120(15) 0.1294(2) 0.0467(8) Uani 1 1 d U . .
C4 C -0.0103(3) 0.85028(17) 0.1208(2) 0.0573(9) Uani 1 1 d U . .
H4 H -0.0336 0.8252 0.1551 0.069 Uiso 1 1 calc R . .
C5 C -0.1039(4) 0.87785(17) 0.0594(2) 0.0645(10) Uani 1 1 d U . .
H5 H -0.1902 0.8716 0.0536 0.077 Uiso 1 1 calc R . .
C6 C -0.0699(4) 0.91401(17) 0.0077(2) 0.0638(10) Uani 1 1 d U . .
H6 H -0.1338 0.9311 -0.0332 0.077 Uiso 1 1 calc R . .
C7 C 0.0560(4) 0.92547(16) 0.0150(2) 0.0574(9) Uani 1 1 d U . .
H7 H 0.0783 0.9501 -0.0201 0.069 Uiso 1 1 calc R . .
C8 C 0.1495(3) 0.89909(15) 0.0766(2) 0.0479(8) Uani 1 1 d U A .
C9 C 0.3502(3) 0.93370(16) 0.0540(2) 0.0531(8) Uani 1 1 d U A .
H9A H 0.4290 0.9491 0.0898 0.064 Uiso 1 1 calc R . .
H9B H 0.2990 0.9662 0.0272 0.064 Uiso 1 1 calc R . .
C10 C 0.3832(3) 0.89606(16) -0.0070(2) 0.0532(8) Uani 1 1 d U . .
C11 C 0.3184(4) 0.84585(18) -0.0347(2) 0.0679(10) Uani 1 1 d U . .
H11 H 0.2528 0.8339 -0.0152 0.081 Uiso 1 1 calc R . .
C12 C 0.3493(4) 0.8123(2) -0.0919(3) 0.0812(12) Uani 1 1 d U . .
H12 H 0.3023 0.7791 -0.1119 0.097 Uiso 1 1 calc R . .
C13 C 0.4488(4) 0.8287(2) -0.1179(3) 0.0786(12) Uani 1 1 d U . .
H13 H 0.4709 0.8060 -0.1551 0.094 Uiso 1 1 calc R . .
C14 C 0.5167(4) 0.8778(2) -0.0902(2) 0.0737(11) Uani 1 1 d U . .
H14 H 0.5848 0.8885 -0.1082 0.088 Uiso 1 1 calc R . .
C15 C 0.4837(4) 0.91148(19) -0.0353(2) 0.0671(10) Uani 1 1 d U . .
H15 H 0.5297 0.9452 -0.0169 0.081 Uiso 1 1 calc R . .
C16 C 0.2534(3) 0.80132(14) 0.24694(19) 0.0443(7) Uani 1 1 d U . .
H16 H 0.1801 0.7891 0.2585 0.053 Uiso 1 1 calc R . .
C17 C 0.3710(3) 0.73690(15) 0.3500(2) 0.0537(9) Uani 1 1 d DU . .
C18 C 0.3328(5) 0.7665(3) 0.4171(3) 0.0752(18) Uani 0.654(4) 1 d PDU A 1
H18A H 0.3733 0.8038 0.4278 0.113 Uiso 0.654(4) 1 calc PR A 1
H18B H 0.3598 0.7430 0.4638 0.113 Uiso 0.654(4) 1 calc PR A 1
H18C H 0.2413 0.7713 0.4015 0.113 Uiso 0.654(4) 1 calc PR A 1
C19 C 0.5096(5) 0.7201(3) 0.3821(4) 0.0767(19) Uani 0.654(4) 1 d PDU A 1
H19A H 0.5360 0.7011 0.3415 0.115 Uiso 0.654(4) 1 calc PR A 1
H19B H 0.5207 0.6943 0.4261 0.115 Uiso 0.654(4) 1 calc PR A 1
H19C H 0.5607 0.7543 0.3992 0.115 Uiso 0.654(4) 1 calc PR A 1
C20 C 0.2867(6) 0.6858(2) 0.3198(4) 0.0790(19) Uani 0.654(4) 1 d PDU A 1
H20A H 0.1986 0.6979 0.3035 0.118 Uiso 0.654(4) 1 calc PR A 1
H20B H 0.2999 0.6573 0.3610 0.118 Uiso 0.654(4) 1 calc PR A 1
H20C H 0.3074 0.6692 0.2756 0.118 Uiso 0.654(4) 1 calc PR A 1
C18' C 0.4525(8) 0.7616(4) 0.4269(4) 0.078(3) Uani 0.346(4) 1 d PDU A 2
H18D H 0.5288 0.7782 0.4199 0.116 Uiso 0.346(4) 1 calc PR A 2
H18E H 0.4756 0.7314 0.4658 0.116 Uiso 0.346(4) 1 calc PR A 2
H18F H 0.4052 0.7911 0.4443 0.116 Uiso 0.346(4) 1 calc PR A 2
C19' C 0.4465(8) 0.6858(3) 0.3286(6) 0.078(3) Uani 0.346(4) 1 d PDU A 2
H19D H 0.3948 0.6675 0.2810 0.117 Uiso 0.346(4) 1 calc PR A 2
H19E H 0.4676 0.6580 0.3709 0.117 Uiso 0.346(4) 1 calc PR A 2
H19F H 0.5240 0.7002 0.3206 0.117 Uiso 0.346(4) 1 calc PR A 2
C20' C 0.2458(6) 0.7161(4) 0.3571(5) 0.076(3) Uani 0.346(4) 1 d PDU A 2
H20D H 0.2015 0.7479 0.3723 0.115 Uiso 0.346(4) 1 calc PR A 2
H20E H 0.2609 0.6862 0.3965 0.115 Uiso 0.346(4) 1 calc PR A 2
H20F H 0.1944 0.7009 0.3072 0.115 Uiso 0.346(4) 1 calc PR A 2
C41 C 0.3207(4) 1.0252(2) 0.2357(3) 0.0807(12) Uani 1 1 d U A .
H41A H 0.3177 1.0172 0.1816 0.097 Uiso 1 1 calc R . .
H41B H 0.3653 1.0617 0.2517 0.097 Uiso 1 1 calc R . .
C42 C 0.1913(5) 1.0286(3) 0.2420(4) 0.1163(17) Uani 1 1 d DU . .
H42A H 0.1772 1.0663 0.2623 0.140 Uiso 1 1 calc R . .
H42B H 0.1287 1.0233 0.1904 0.140 Uiso 1 1 calc R . .
C43 C 0.1788(5) 0.9831(3) 0.2955(4) 0.1097(16) Uani 1 1 d DU . .
H43A H 0.1470 0.9989 0.3366 0.132 Uiso 1 1 calc R . .
H43B H 0.1193 0.9536 0.2670 0.132 Uiso 1 1 calc R . .
C44 C 0.3041(4) 0.9587(2) 0.3294(3) 0.0738(11) Uani 1 1 d U A .
H44A H 0.3379 0.9699 0.3845 0.089 Uiso 1 1 calc R . .
H44B H 0.2994 0.9167 0.3266 0.089 Uiso 1 1 calc R . .
Li1 Li 0.5000 0.8161(4) 0.2500 0.052(2) Uani 1 2 d S . .
Li2 Li 0.5000 0.9245(3) 0.2500 0.052(2) Uani 1 2 d S . .
N1 N 0.2809(3) 0.90401(11) 0.09984(15) 0.0441(7) Uani 1 1 d . . .
N2 N 0.3602(2) 0.78009(12) 0.28691(16) 0.0455(7) Uani 1 1 d D A .
O1 O 0.3856(2) 0.97946(11) 0.28645(15) 0.0620(7) Uani 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'
O O 0.0106 0.0060 '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
N1 C1 C2 104.4(3) . .
N1 C1 Li2 108.8(3) . .
C2 C1 Li2 127.7(2) . .
N1 C1 Li1 155.8(3) . .
C2 C1 Li1 96.1(2) . .
Li2 C1 Li1 66.4(3) . .
C1 C2 C16 124.6(3) . .
C1 C2 C3 109.7(3) . .
C16 C2 C3 125.7(3) . .
C4 C3 C8 119.2(3) . .
C4 C3 C2 134.8(3) . .
C8 C3 C2 105.9(3) . .
C3 C4 C5 118.6(4) . .
C3 C4 H4 120.7 . .
C5 C4 H4 120.7 . .
C6 C5 C4 120.9(4) . .
C6 C5 H5 119.6 . .
C4 C5 H5 119.6 . .
C5 C6 C7 121.5(4) . .
C5 C6 H6 119.2 . .
C7 C6 H6 119.2 . .
C6 C7 C8 117.9(4) . .
C6 C7 H7 121.0 . .
C8 C7 H7 121.0 . .
N1 C8 C7 130.7(3) . .
N1 C8 C3 107.5(3) . .
C7 C8 C3 121.8(3) . .
N1 C9 C10 114.3(3) . .
N1 C9 H9A 108.7 . .
C10 C9 H9A 108.7 . .
N1 C9 H9B 108.7 . .
C10 C9 H9B 108.7 . .
H9A C9 H9B 107.6 . .
C11 C10 C15 117.8(4) . .
C11 C10 C9 122.2(4) . .
C15 C10 C9 120.0(3) . .
C10 C11 C12 121.2(4) . .
C10 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
C13 C12 C11 119.2(4) . .
C13 C12 H12 120.4 . .
C11 C12 H12 120.4 . .
C12 C13 C14 121.0(5) . .
C12 C13 H13 119.5 . .
C14 C13 H13 119.5 . .
C13 C14 C15 119.5(4) . .
C13 C14 H14 120.2 . .
C15 C14 H14 120.2 . .
C14 C15 C10 121.3(4) . .
C14 C15 H15 119.4 . .
C10 C15 H15 119.4 . .
N2 C16 C2 124.1(3) . .
N2 C16 H16 118.0 . .
C2 C16 H16 118.0 . .
N2 C17 C20' 114.6(4) . .
N2 C17 C20 111.3(3) . .
C20' C17 C20 45.1(4) . .
N2 C17 C18' 108.9(4) . .
C20' C17 C18' 110.5(5) . .
C20 C17 C18' 139.3(5) . .
N2 C17 C19 107.6(3) . .
C20' C17 C19 137.2(5) . .
C20 C17 C19 112.1(4) . .
C18' C17 C19 59.9(4) . .
N2 C17 C18 108.0(3) . .
C20' C17 C18 66.6(5) . .
C20 C17 C18 110.1(4) . .
C18' C17 C18 49.5(4) . .
C19 C17 C18 107.6(4) . .
N2 C17 C19' 104.7(4) . .
C20' C17 C19' 110.4(5) . .
C20 C17 C19' 68.2(4) . .
C18' C17 C19' 107.4(5) . .
C19 C17 C19' 49.1(4) . .
C18 C17 C19' 144.9(5) . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
C17 C19 H19A 109.5 . .
C17 C19 H19B 109.5 . .
C17 C19 H19C 109.5 . .
C17 C20 H20A 109.5 . .
C17 C20 H20B 109.5 . .
C17 C20 H20C 109.5 . .
C17 C18' H18D 109.5 . .
C17 C18' H18E 109.5 . .
H18D C18' H18E 109.5 . .
C17 C18' H18F 109.5 . .
H18D C18' H18F 109.5 . .
H18E C18' H18F 109.5 . .
C17 C19' H19D 109.5 . .
C17 C19' H19E 109.5 . .
H19D C19' H19E 109.5 . .
C17 C19' H19F 109.5 . .
H19D C19' H19F 109.5 . .
H19E C19' H19F 109.5 . .
C17 C20' H20D 109.5 . .
C17 C20' H20E 109.5 . .
H20D C20' H20E 109.5 . .
C17 C20' H20F 109.5 . .
H20D C20' H20F 109.5 . .
H20E C20' H20F 109.5 . .
O1 C41 C42 107.5(4) . .
O1 C41 H41A 110.2 . .
C42 C41 H41A 110.2 . .
O1 C41 H41B 110.2 . .
C42 C41 H41B 110.2 . .
H41A C41 H41B 108.5 . .
C43 C42 C41 107.4(5) . .
C43 C42 H42A 110.2 . .
C41 C42 H42A 110.2 . .
C43 C42 H42B 110.2 . .
C41 C42 H42B 110.2 . .
H42A C42 H42B 108.5 . .
C44 C43 C42 106.9(5) . .
C44 C43 H43A 110.4 . .
C42 C43 H43A 110.3 . .
C44 C43 H43B 110.3 . .
C42 C43 H43B 110.4 . .
H43A C43 H43B 108.6 . .
O1 C44 C43 108.6(4) . .
O1 C44 H44A 110.0 . .
C43 C44 H44A 110.0 . .
O1 C44 H44B 110.0 . .
C43 C44 H44B 110.0 . .
H44A C44 H44B 108.4 . .
N2 Li1 N2 131.4(5) 2_655 .
N2 Li1 C1 85.93(12) 2_655 2_655
N2 Li1 C1 121.69(13) . 2_655
N2 Li1 C1 121.69(13) 2_655 .
N2 Li1 C1 85.93(12) . .
C1 Li1 C1 113.0(4) 2_655 .
N2 Li1 Li2 114.3(2) 2_655 .
N2 Li1 Li2 114.3(2) . .
C1 Li1 Li2 56.5(2) 2_655 .
C1 Li1 Li2 56.5(2) . .
N2 Li1 C16 26.34(10) 2_655 2_655
N2 Li1 C16 142.4(3) . 2_655
C1 Li1 C16 59.63(12) 2_655 2_655
C1 Li1 C16 130.1(2) . 2_655
Li2 Li1 C16 97.22(19) . 2_655
O1 Li2 O1 102.3(4) 2_655 .
O1 Li2 C1 124.24(12) 2_655 .
O1 Li2 C1 96.74(11) . .
O1 Li2 C1 96.74(11) 2_655 2_655
O1 Li2 C1 124.24(12) . 2_655
C1 Li2 C1 114.3(4) . 2_655
O1 Li2 Li1 128.83(19) 2_655 .
O1 Li2 Li1 128.83(19) . .
C1 Li2 Li1 57.16(19) . .
C1 Li2 Li1 57.16(19) 2_655 .
C8 N1 C1 112.4(3) . .
C8 N1 C9 123.4(3) . .
C1 N1 C9 123.7(3) . .
C16 N2 C17 122.3(3) . .
C16 N2 Li1 108.7(3) . .
C17 N2 Li1 129.0(2) . .
C44 O1 C41 108.3(3) . .
C44 O1 Li2 120.8(3) . .
C41 O1 Li2 119.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.400(4) .
C1 C2 1.401(5) .
C1 Li2 2.276(5) .
C1 Li1 2.294(6) .
C2 C16 1.435(5) .
C2 C3 1.448(4) .
C3 C4 1.386(5) .
C3 C8 1.400(5) .
C4 C5 1.401(5) .
C4 H4 0.9300 .
C5 C6 1.373(6) .
C5 H5 0.9300 .
C6 C7 1.370(6) .
C6 H6 0.9300 .
C7 C8 1.390(5) .
C7 H7 0.9300 .
C8 N1 1.375(4) .
C9 N1 1.442(5) .
C9 C10 1.514(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.368(5) .
C10 C15 1.389(6) .
C11 C12 1.397(6) .
C11 H11 0.9300 .
C12 C13 1.359(7) .
C12 H12 0.9300 .
C13 C14 1.361(6) .
C13 H13 0.9300 .
C14 C15 1.377(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 N2 1.267(4) .
C16 H16 0.9300 .
C17 N2 1.476(4) .
C17 C20' 1.494(7) .
C17 C20 1.492(6) .
C17 C18' 1.499(7) .
C17 C19 1.499(6) .
C17 C18 1.538(6) .
C17 C19' 1.552(8) .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C18' H18D 0.9600 .
C18' H18E 0.9600 .
C18' H18F 0.9600 .
C19' H19D 0.9600 .
C19' H19E 0.9600 .
C19' H19F 0.9600 .
C20' H20D 0.9600 .
C20' H20E 0.9600 .
C20' H20F 0.9600 .
C41 O1 1.428(5) .
C41 C42 1.455(7) .
C41 H41A 0.9700 .
C41 H41B 0.9700 .
C42 C43 1.451(8) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 C44 1.434(7) .
C43 H43A 0.9700 .
C43 H43B 0.9700 .
C44 O1 1.421(5) .
C44 H44A 0.9700 .
C44 H44B 0.9700 .
Li1 N2 2.017(4) 2_655
Li1 N2 2.017(4) .
Li1 C1 2.294(6) 2_655
Li1 Li2 2.501(12) .
Li1 C16 2.704(4) 2_655
Li2 O1 2.021(6) 2_655
Li2 O1 2.021(6) .
Li2 C1 2.276(5) 2_655
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
N1 C1 C2 C16 175.8(3) . .
Li2 C1 C2 C16 -55.9(5) . .
Li1 C1 C2 C16 8.8(4) . .
N1 C1 C2 C3 -2.1(4) . .
Li2 C1 C2 C3 126.1(3) . .
Li1 C1 C2 C3 -169.2(3) . .
C1 C2 C3 C4 -176.4(4) . .
C16 C2 C3 C4 5.7(6) . .
C1 C2 C3 C8 1.9(4) . .
C16 C2 C3 C8 -176.0(3) . .
C8 C3 C4 C5 -0.2(5) . .
C2 C3 C4 C5 177.9(4) . .
C3 C4 C5 C6 1.3(6) . .
C4 C5 C6 C7 -1.4(6) . .
C5 C6 C7 C8 0.3(6) . .
C6 C7 C8 N1 -177.4(4) . .
C6 C7 C8 C3 0.9(5) . .
C4 C3 C8 N1 177.7(3) . .
C2 C3 C8 N1 -0.9(4) . .
C4 C3 C8 C7 -0.9(5) . .
C2 C3 C8 C7 -179.5(3) . .
N1 C9 C10 C11 20.8(5) . .
N1 C9 C10 C15 -157.8(3) . .
C15 C10 C11 C12 -2.3(6) . .
C9 C10 C11 C12 179.0(4) . .
C10 C11 C12 C13 2.7(7) . .
C11 C12 C13 C14 -1.3(7) . .
C12 C13 C14 C15 -0.3(7) . .
C13 C14 C15 C10 0.6(6) . .
C11 C10 C15 C14 0.7(6) . .
C9 C10 C15 C14 179.4(3) . .
C1 C2 C16 N2 -8.5(5) . .
C3 C2 C16 N2 169.2(3) . .
O1 C41 C42 C43 -1.6(6) . .
C41 C42 C43 C44 8.2(7) . .
C42 C43 C44 O1 -11.8(6) . .
N1 C1 Li1 N2 -16.5(10) . 2_655
C2 C1 Li1 N2 131.5(4) . 2_655
Li2 C1 Li1 N2 -99.8(4) . 2_655
N1 C1 Li1 N2 -153.9(6) . .
C2 C1 Li1 N2 -5.9(3) . .
Li2 C1 Li1 N2 122.80(19) . .
N1 C1 Li1 C1 83.3(7) . 2_655
C2 C1 Li1 C1 -128.7(2) . 2_655
Li2 C1 Li1 C1 0.0 . 2_655
N1 C1 Li1 Li2 83.3(7) . .
C2 C1 Li1 Li2 -128.7(2) . .
N1 C1 Li1 C16 14.5(10) . 2_655
C2 C1 Li1 C16 162.5(4) . 2_655
Li2 C1 Li1 C16 -68.8(4) . 2_655
N1 C1 Li2 O1 -37.0(4) . 2_655
C2 C1 Li2 O1 -163.5(3) . 2_655
Li1 C1 Li2 O1 117.6(3) . 2_655
N1 C1 Li2 O1 73.0(3) . .
C2 C1 Li2 O1 -53.6(4) . .
Li1 C1 Li2 O1 -132.47(18) . .
N1 C1 Li2 C1 -154.6(3) . 2_655
C2 C1 Li2 C1 78.9(3) . 2_655
Li1 C1 Li2 C1 0.0 . 2_655
N1 C1 Li2 Li1 -154.6(3) . .
C2 C1 Li2 Li1 78.9(3) . .
N2 Li1 Li2 O1 3.21(12) 2_655 2_655
N2 Li1 Li2 O1 -176.79(12) . 2_655
C1 Li1 Li2 O1 70.11(14) 2_655 2_655
C1 Li1 Li2 O1 -109.89(14) . 2_655
C16 Li1 Li2 O1 24.17(11) 2_655 2_655
N2 Li1 Li2 O1 -176.79(12) 2_655 .
N2 Li1 Li2 O1 3.21(12) . .
C1 Li1 Li2 O1 -109.89(14) 2_655 .
C1 Li1 Li2 O1 70.11(14) . .
C16 Li1 Li2 O1 -155.83(11) 2_655 .
N2 Li1 Li2 C1 113.10(13) 2_655 .
N2 Li1 Li2 C1 -66.90(13) . .
C1 Li1 Li2 C1 180.0 2_655 .
C16 Li1 Li2 C1 134.05(13) 2_655 .
N2 Li1 Li2 C1 -66.90(13) 2_655 2_655
N2 Li1 Li2 C1 113.10(13) . 2_655
C1 Li1 Li2 C1 180.0 . 2_655
C16 Li1 Li2 C1 -45.95(13) 2_655 2_655
C7 C8 N1 C1 178.0(4) . .
C3 C8 N1 C1 -0.4(4) . .
C7 C8 N1 C9 -9.5(6) . .
C3 C8 N1 C9 172.0(3) . .
C2 C1 N1 C8 1.6(4) . .
Li2 C1 N1 C8 -137.4(2) . .
Li1 C1 N1 C8 148.6(7) . .
C2 C1 N1 C9 -170.8(3) . .
Li2 C1 N1 C9 50.2(4) . .
Li1 C1 N1 C9 -23.8(8) . .
C10 C9 N1 C8 -87.5(4) . .
C10 C9 N1 C1 84.1(4) . .
C2 C16 N2 C17 -179.6(3) . .
C2 C16 N2 Li1 1.3(4) . .
C20' C17 N2 C16 5.8(6) . .
C20 C17 N2 C16 54.8(5) . .
C18' C17 N2 C16 -118.6(5) . .
C19 C17 N2 C16 178.0(4) . .
C18 C17 N2 C16 -66.2(4) . .
C19' C17 N2 C16 126.8(4) . .
C20' C17 N2 Li1 -175.3(5) . .
C20 C17 N2 Li1 -126.2(4) . .
C18' C17 N2 Li1 60.4(5) . .
C19 C17 N2 Li1 -3.1(5) . .
C18 C17 N2 Li1 112.8(4) . .
C19' C17 N2 Li1 -54.2(5) . .
N2 Li1 N2 C16 -126.9(2) 2_655 .
C1 Li1 N2 C16 117.4(4) 2_655 .
C1 Li1 N2 C16 2.9(3) . .
Li2 Li1 N2 C16 53.1(2) . .
C16 Li1 N2 C16 -162.5(3) 2_655 .
N2 Li1 N2 C17 54.0(3) 2_655 .
C1 Li1 N2 C17 -61.7(6) 2_655 .
C1 Li1 N2 C17 -176.2(3) . .
Li2 Li1 N2 C17 -126.0(3) . .
C16 Li1 N2 C17 18.4(6) 2_655 .
C43 C44 O1 C41 11.0(5) . .
C43 C44 O1 Li2 -133.0(4) . .
C42 C41 O1 C44 -5.7(5) . .
C42 C41 O1 Li2 138.6(4) . .
O1 Li2 O1 C44 -169.3(3) 2_655 .
C1 Li2 O1 C44 63.4(3) . .
C1 Li2 O1 C44 -62.2(4) 2_655 .
Li1 Li2 O1 C44 10.7(3) . .
O1 Li2 O1 C41 50.9(3) 2_655 .
C1 Li2 O1 C41 -76.4(4) . .
C1 Li2 O1 C41 158.0(3) 2_655 .
Li1 Li2 O1 C41 -129.1(3) . .
