#------------------------------------------------------------------------------
#$Date: 2018-02-02 03:27:18 +0200 (Fri, 02 Feb 2018) $
#$Revision: 206065 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/88/1548851.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_1548851
loop_
_publ_author_name
'Dranka, Maciej'
'Jankowski, Piotr'
'Żukowska, Grażyna Z.'
_publ_section_title
;
 Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate--Glyme
 Solvates. Impact of Water Molecules on Aggregation Processes in
 Lithium-Ion Battery Electrolytes
;
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_paper_doi               10.1021/acs.jpcc.7b11145
_journal_year                    2018
_chemical_formula_moiety         'C12 H14 F3 Li N4 O3, C6 H2 F3 Li N4 O'
_chemical_formula_sum            'C18 H16 F6 Li2 N8 O4'
_chemical_formula_weight         536.27
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2017-10-22
_audit_creation_method
;
Olex2 1.2-beta
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_cell_angle_alpha                102.766(4)
_cell_angle_beta                 99.270(4)
_cell_angle_gamma                98.810(4)
_cell_formula_units_Z            2
_cell_length_a                   8.5247(4)
_cell_length_b                   10.0929(4)
_cell_length_c                   15.4277(8)
_cell_measurement_reflns_used    13651
_cell_measurement_temperature    120.0(1)
_cell_measurement_theta_max      31.4140
_cell_measurement_theta_min      4.0220
_cell_volume                     1252.86(11)
_computing_cell_refinement       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      120.0(1)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3347
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
--------------------------------------------------------------------------
  1  ω    -94.00 -15.00   1.00   25.00    --  -17.09 154.00 -26.78   79
  2  ω    -90.00 -12.00   1.00   25.00    --  -17.09 149.00  85.81   78
  3  ω    -71.00   8.00   1.00   25.00    --  -17.09 119.00-110.01   79
  4  ω    -96.00  17.00   1.00   25.00    --  -17.09 -77.00 120.00  113
  5  ω    -93.00   9.00   1.00   25.00    --  -17.09 -38.00 -30.00  102
  6  ω    -47.00  57.00   1.00   25.00    --  -17.09  57.00   0.00  104
  7  ω    -91.00  12.00   1.00   25.00    --  -17.09 -57.00 -60.00  103
  8  ω    -93.00   9.00   1.00   25.00    --  -17.09 -38.00-150.00  102
  9  ω    -58.00  44.00   1.00   25.00    --   17.87 -38.00-120.00  102
 10  ω   -107.00 -34.00   1.00   25.00    --  -17.09-179.00  30.00   73
 11  ω    -96.00  17.00   1.00   25.00    --  -17.09 -77.00-150.00  113
 12  ω    -89.00 -11.00   1.00   25.00    --  -17.09 148.00 133.24   78
 13  ω    -17.00  43.00   1.00   25.00    --   17.87  84.00 160.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0527159000
_diffrn_orient_matrix_UB_12      -0.0649155000
_diffrn_orient_matrix_UB_13      -0.0078480000
_diffrn_orient_matrix_UB_21      -0.0245582000
_diffrn_orient_matrix_UB_22      0.0231441000
_diffrn_orient_matrix_UB_23      0.0416418000
_diffrn_orient_matrix_UB_31      -0.0633221000
_diffrn_orient_matrix_UB_32      0.0255018000
_diffrn_orient_matrix_UB_33      -0.0228348000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_unetI/netI     0.0194
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            33633
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.384
_diffrn_reflns_theta_min         3.242
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.130
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.91558
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.422
_exptl_crystal_description       block
_exptl_crystal_F_000             544
_exptl_crystal_size_max          0.425
_exptl_crystal_size_mid          0.223
_exptl_crystal_size_min          0.096
_refine_diff_density_max         0.314
_refine_diff_density_min         -0.263
_refine_diff_density_rms         0.037
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     351
_refine_ls_number_reflns         5128
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0386
_refine_ls_R_factor_gt           0.0320
_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)+(0.0320P)²+0.4880P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0758
_refine_ls_wR_factor_ref         0.0799
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4469
_reflns_number_total             5128
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            jp7b11145_si_001.cif
_cod_data_source_block           6a6b
_cod_original_cell_volume        1252.86(10)
_cod_database_code               1548851
_shelx_shelxl_version_number     2017/1
_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
F4 F 0.49053(10) 0.42875(8) 0.79005(7) 0.0424(2) Uani 1 1 d .
F5 F 0.40962(12) 0.34272(10) 0.89380(5) 0.0449(2) Uani 1 1 d .
F6 F 0.23836(9) 0.39597(8) 0.79505(6) 0.0358(2) Uani 1 1 d .
O2 O 0.09670(12) -0.24346(12) 0.30126(7) 0.0392(3) Uani 1 1 d .
O3 O 0.00435(14) -0.46241(11) 0.35807(7) 0.0429(3) Uani 1 1 d .
O4 O -0.25332(13) -0.39022(10) 0.41347(7) 0.0373(2) Uani 1 1 d .
N5 N 0.22592(12) 0.15037(10) 0.67289(7) 0.0198(2) Uani 1 1 d .
N6 N 0.44817(12) 0.11540(11) 0.76269(7) 0.0224(2) Uani 1 1 d .
N7 N 0.06621(14) -0.15382(11) 0.49989(7) 0.0272(2) Uani 1 1 d .
N8 N 0.52726(17) -0.21138(13) 0.67168(10) 0.0450(3) Uani 1 1 d .
C7 C 0.34563(14) 0.19885(13) 0.74638(8) 0.0203(2) Uani 1 1 d .
C8 C 0.39012(14) 0.00080(12) 0.69307(8) 0.0212(2) Uani 1 1 d .
C9 C 0.25419(14) 0.02150(12) 0.63838(8) 0.0193(2) Uani 1 1 d .
C10 C 0.46524(16) -0.11758(14) 0.68203(9) 0.0287(3) Uani 1 1 d .
C11 C 0.14993(15) -0.07481(13) 0.56112(8) 0.0212(2) Uani 1 1 d .
C12 C 0.37028(15) 0.34137(14) 0.80663(9) 0.0259(3) Uani 1 1 d .
C13 C 0.18415(19) -0.1063(2) 0.31109(12) 0.0502(5) Uani 1 1 d .
H13A H 0.275095 -0.082858 0.363104 0.075 Uiso 1 1 calc GR
H13B H 0.111715 -0.040303 0.321012 0.075 Uiso 1 1 calc GR
H13C H 0.225525 -0.101972 0.255879 0.075 Uiso 1 1 calc GR
C14 C 0.1951(2) -0.3451(2) 0.29346(12) 0.0581(6) Uani 1 1 d .
H14A H 0.282643 -0.323449 0.348055 0.070 Uiso 1 1 calc R
H14B H 0.245110 -0.347759 0.239606 0.070 Uiso 1 1 calc R
C15 C 0.0874(2) -0.4813(2) 0.28409(12) 0.0596(6) Uani 1 1 d .
H15A H 0.008965 -0.509153 0.225440 0.072 Uiso 1 1 calc R
H15B H 0.152493 -0.554136 0.286819 0.072 Uiso 1 1 calc R
C16 C -0.1296(3) -0.57127(16) 0.35211(13) 0.0581(5) Uani 1 1 d .
H16A H -0.090491 -0.655685 0.361015 0.070 Uiso 1 1 calc R
H16B H -0.202845 -0.594112 0.291901 0.070 Uiso 1 1 calc R
C17 C -0.2163(2) -0.51859(17) 0.42529(13) 0.0529(5) Uani 1 1 d .
H17A H -0.317015 -0.585506 0.420653 0.063 Uiso 1 1 calc R
H17B H -0.146657 -0.505105 0.485688 0.063 Uiso 1 1 calc R
C18 C -0.3398(3) -0.3305(2) 0.47868(15) 0.0626(5) Uani 1 1 d .
H18A H -0.444934 -0.391554 0.470862 0.094 Uiso 1 1 calc GR
H18B H -0.356932 -0.240002 0.470156 0.094 Uiso 1 1 calc GR
H18C H -0.277162 -0.318806 0.539904 0.094 Uiso 1 1 calc GR
Li2 Li -0.0711(3) -0.2744(2) 0.37519(14) 0.0250(4) Uani 1 1 d .
F1 F 1.06672(9) 1.07762(7) 0.87705(6) 0.02897(18) Uani 1 1 d .
F2 F 1.23914(9) 0.95194(9) 0.90746(6) 0.0355(2) Uani 1 1 d .
F3 F 1.08751(11) 0.90296(9) 0.77486(5) 0.0370(2) Uani 1 1 d .
O1 O 0.70500(11) 0.13629(9) 0.91121(6) 0.0253(2) Uani 1 1 d D
H1A H 0.7377(18) 0.0602(12) 0.9012(10) 0.038 Uiso 1 1 d DR
H1B H 0.6220(14) 0.1308(16) 0.8711(9) 0.038 Uiso 1 1 d DR
N1 N 0.81176(11) 0.87549(10) 0.88534(7) 0.0172(2) Uani 1 1 d .
N2 N 0.99783(11) 0.74497(9) 0.92103(6) 0.01534(19) Uani 1 1 d .
N3 N 0.43449(12) 0.72446(11) 0.91907(7) 0.0226(2) Uani 1 1 d .
N4 N 0.80071(12) 0.46285(10) 0.98736(7) 0.0221(2) Uani 1 1 d .
C1 C 0.96469(13) 0.85629(11) 0.89292(8) 0.0159(2) Uani 1 1 d .
C2 C 0.84989(13) 0.68594(11) 0.93258(7) 0.0152(2) Uani 1 1 d .
C3 C 0.73693(13) 0.76533(11) 0.91072(8) 0.0162(2) Uani 1 1 d .
C4 C 0.82374(13) 0.56244(12) 0.96362(8) 0.0172(2) Uani 1 1 d .
C5 C 0.56861(14) 0.74336(11) 0.91462(8) 0.0181(2) Uani 1 1 d .
C6 C 1.08945(14) 0.94781(12) 0.86380(8) 0.0201(2) Uani 1 1 d .
Li1 Li 0.7680(2) 0.2750(2) 1.02043(14) 0.0195(4) 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'
F F 0.0171 0.0103 '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_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-2 -1 -19 0.0482
2 1 19 0.0482
0 -14 9 0.2205
1 14 -8 0.1912
-11 2 -4 0.1123
4 -7 -16 0.0992
11 -3 -9 0.0884
3 -3 -20 0.0361
-12 1 0 0.1093
-8 2 17 0.0858
8 9 -12 0.1739
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
C13 O2 Li2 119.94(11) . .
C14 O2 C13 113.44(13) . .
C14 O2 Li2 113.58(13) . .
C15 O3 C16 115.67(14) . .
C15 O3 Li2 109.79(12) . .
C16 O3 Li2 109.85(11) . .
C17 O4 C18 112.41(14) . .
C17 O4 Li2 112.50(12) . .
C18 O4 Li2 122.19(12) . .
C7 N5 C9 102.05(10) . .
C7 N5 Li2 123.03(10) . 2_556
C9 N5 Li2 134.21(10) . 2_556
C7 N6 C8 102.69(10) . .
C11 N7 Li2 169.95(12) . .
N5 C7 C12 122.64(11) . .
N6 C7 N5 117.05(11) . .
N6 C7 C12 120.27(11) . .
N6 C8 C9 109.01(11) . .
N6 C8 C10 122.44(11) . .
C9 C8 C10 128.55(11) . .
N5 C9 C8 109.20(10) . .
N5 C9 C11 122.83(11) . .
C8 C9 C11 127.86(11) . .
N8 C10 C8 178.36(16) . .
N7 C11 C9 178.85(13) . .
F4 C12 C7 111.89(10) . .
F5 C12 F4 106.45(11) . .
F5 C12 F6 107.98(10) . .
F5 C12 C7 111.88(11) . .
F6 C12 F4 106.49(11) . .
F6 C12 C7 111.82(10) . .
O2 C13 H13A 109.5 . .
O2 C13 H13B 109.5 . .
O2 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
O2 C14 H14A 110.3 . .
O2 C14 H14B 110.3 . .
O2 C14 C15 107.06(13) . .
H14A C14 H14B 108.6 . .
C15 C14 H14A 110.3 . .
C15 C14 H14B 110.3 . .
O3 C15 C14 106.43(13) . .
O3 C15 H15A 110.4 . .
O3 C15 H15B 110.4 . .
C14 C15 H15A 110.4 . .
C14 C15 H15B 110.4 . .
H15A C15 H15B 108.6 . .
O3 C16 H16A 110.4 . .
O3 C16 H16B 110.4 . .
O3 C16 C17 106.45(13) . .
H16A C16 H16B 108.6 . .
C17 C16 H16A 110.4 . .
C17 C16 H16B 110.4 . .
O4 C17 C16 107.06(14) . .
O4 C17 H17A 110.3 . .
O4 C17 H17B 110.3 . .
C16 C17 H17A 110.3 . .
C16 C17 H17B 110.3 . .
H17A C17 H17B 108.6 . .
O4 C18 H18A 109.5 . .
O4 C18 H18B 109.5 . .
O4 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O2 Li2 O3 79.80(9) . .
O2 Li2 O4 154.62(13) . .
O2 Li2 N5 97.72(10) . 2_556
O2 Li2 N7 97.11(10) . .
O3 Li2 N5 149.07(12) . 2_556
O3 Li2 N7 104.95(10) . .
O4 Li2 O3 79.39(9) . .
O4 Li2 N5 92.73(9) . 2_556
O4 Li2 N7 102.15(10) . .
N7 Li2 N5 105.95(10) . 2_556
H1A O1 H1B 109.2(12) . .
Li1 O1 H1A 124.9(10) . .
Li1 O1 H1B 123.9(10) . .
C1 N1 C3 102.44(9) . .
C1 N2 C2 101.97(9) . .
C1 N2 Li1 124.27(9) . 2_767
C2 N2 Li1 129.61(9) . 2_767
C5 N3 Li1 157.78(12) . 2_667
C4 N4 Li1 174.79(11) . .
N1 C1 N2 117.18(10) . .
N1 C1 C6 121.22(10) . .
N2 C1 C6 121.40(10) . .
N2 C2 C3 109.27(10) . .
N2 C2 C4 122.98(10) . .
C3 C2 C4 127.74(10) . .
N1 C3 C2 109.14(10) . .
N1 C3 C5 122.63(10) . .
C2 C3 C5 128.21(10) . .
N4 C4 C2 178.92(13) . .
N3 C5 C3 178.66(12) . .
F1 C6 F2 107.31(10) . .
F1 C6 F3 106.43(9) . .
F1 C6 C1 112.72(10) . .
F2 C6 F3 106.60(10) . .
F2 C6 C1 112.15(9) . .
F3 C6 C1 111.25(10) . .
O1 Li1 N2 105.72(10) . 2_767
O1 Li1 N3 106.59(10) . 2_667
O1 Li1 N4 107.30(10) . .
N3 Li1 N2 127.14(11) 2_667 2_767
N4 Li1 N2 105.12(9) . 2_767
N4 Li1 N3 103.72(9) . 2_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F4 C12 1.3421(16) .
F5 C12 1.3291(15) .
F6 C12 1.3300(14) .
O2 C13 1.431(2) .
O2 C14 1.418(2) .
O2 Li2 1.998(2) .
O3 C15 1.431(2) .
O3 C16 1.434(2) .
O3 Li2 2.072(2) .
O4 C17 1.4222(19) .
O4 C18 1.424(2) .
O4 Li2 2.043(2) .
N5 C7 1.3399(15) .
N5 C9 1.3655(16) .
N5 Li2 2.112(2) 2_556
N6 C7 1.3361(16) .
N6 C8 1.3568(16) .
N7 C11 1.1459(16) .
N7 Li2 2.087(2) .
N8 C10 1.1467(18) .
C7 C12 1.4936(18) .
C8 C9 1.3911(17) .
C8 C10 1.4305(18) .
C9 C11 1.4275(17) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C14 C15 1.496(3) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C16 C17 1.492(3) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
F1 C6 1.3297(14) .
F2 C6 1.3335(14) .
F3 C6 1.3431(14) .
O1 H1A 0.848(8) .
O1 H1B 0.848(9) .
O1 Li1 1.877(2) .
N1 C1 1.3376(15) .
N1 C3 1.3608(15) .
N2 C1 1.3429(14) .
N2 C2 1.3662(15) .
N2 Li1 2.113(2) 2_767
N3 C5 1.1457(16) .
N3 Li1 2.090(2) 2_667
N4 C4 1.1439(16) .
N4 Li1 2.060(2) .
C1 C6 1.4907(16) .
C2 C3 1.3908(15) .
C2 C4 1.4303(16) .
C3 C5 1.4310(16) .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
O1 H1A N1 0.848(8) 2.035(9) 2.8814(13) 176.1(16) 1_545 yes
O1 H1B N6 0.848(9) 2.008(9) 2.8491(13) 171.3(16) . yes
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
O2 C14 C15 O3 -52.37(17) .
O3 C16 C17 O4 54.04(17) .
N5 C7 C12 F4 -101.20(13) .
N5 C7 C12 F5 139.44(12) .
N5 C7 C12 F6 18.17(18) .
N6 C7 C12 F4 76.40(15) .
N6 C7 C12 F5 -42.96(16) .
N6 C7 C12 F6 -164.23(11) .
N6 C8 C9 N5 0.43(14) .
N6 C8 C9 C11 -175.96(12) .
C7 N5 C9 C8 -0.39(13) .
C7 N5 C9 C11 176.22(11) .
C7 N6 C8 C9 -0.25(13) .
C7 N6 C8 C10 179.10(12) .
C8 N6 C7 N5 0.00(14) .
C8 N6 C7 C12 -177.73(11) .
C9 N5 C7 N6 0.25(14) .
C9 N5 C7 C12 177.92(11) .
C10 C8 C9 N5 -178.87(12) .
C10 C8 C9 C11 4.7(2) .
C13 O2 C14 C15 179.80(13) .
C15 O3 C16 C17 -169.39(14) .
C16 O3 C15 C14 167.61(13) .
C18 O4 C17 C16 178.78(15) .
Li2 O2 C14 C15 38.28(17) .
Li2 O3 C15 C14 42.63(16) .
Li2 O3 C16 C17 -44.45(16) .
Li2 O4 C17 C16 -38.60(17) .
Li2 N5 C7 N6 -171.32(11) 2_556
Li2 N5 C7 C12 6.36(18) 2_556
Li2 N5 C9 C8 169.73(12) 2_556
Li2 N5 C9 C11 -13.7(2) 2_556
N1 C1 C6 F1 33.48(15) .
N1 C1 C6 F2 154.72(11) .
N1 C1 C6 F3 -85.98(13) .
N2 C1 C6 F1 -151.83(10) .
N2 C1 C6 F2 -30.59(16) .
N2 C1 C6 F3 88.71(13) .
N2 C2 C3 N1 -0.15(13) .
N2 C2 C3 C5 -178.75(11) .
C1 N1 C3 C2 0.23(12) .
C1 N1 C3 C5 178.93(11) .
C1 N2 C2 C3 0.00(12) .
C1 N2 C2 C4 -179.31(11) .
C2 N2 C1 N1 0.17(13) .
C2 N2 C1 C6 -174.73(10) .
C3 N1 C1 N2 -0.26(13) .
C3 N1 C1 C6 174.65(10) .
C4 C2 C3 N1 179.11(11) .
C4 C2 C3 C5 0.5(2) .
Li1 N2 C1 N1 -158.75(10) 2_767
Li1 N2 C1 C6 26.36(16) 2_767
Li1 N2 C2 C3 157.30(11) 2_767
Li1 N2 C2 C4 -22.01(17) 2_767
