#------------------------------------------------------------------------------
#$Date: 2016-02-18 17:37:37 +0200 (Thu, 18 Feb 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/17/1511792.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_1511792
loop_
_publ_author_name
'Han, Sang-Don'
'Allen, Joshua L.'
'Jónsson, Erlendur'
'Johansson, Patrik'
'McOwen, Dennis W.'
'Boyle, Paul D.'
'Henderson, Wesley A.'
_publ_section_title
;
 Solvate Structures and Computational/Spectroscopic Characterization of
 Lithium Difluoro(oxalato)borate (LiDFOB) Electrolytes
;
_journal_issue                   11
_journal_name_full               'The Journal of Physical Chemistry C'
_journal_page_first              5521
_journal_paper_doi               10.1021/jp309102c
_journal_volume                  117
_journal_year                    2013
_chemical_formula_sum            'C11 H23 B F2 Li N3 O4'
_chemical_formula_weight         317.07
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 130.986(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.626(5)
_cell_length_b                   8.717(3)
_cell_length_c                   18.413(7)
_cell_measurement_reflns_used    9913
_cell_measurement_temperature    110
_cell_measurement_theta_max      31.64
_cell_measurement_theta_min      2.93
_cell_volume                     1650.9(11)
_computing_cell_refinement       SAINT
_computing_data_collection       Apex2
_computing_data_reduction        SAINT
_computing_molecular_graphics    NRCVAX
_computing_publication_material  cif2tables.py
_computing_structure_refinement  XL
_computing_structure_solution    XS
_diffrn_ambient_temperature      110
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker-Nonius Kappa Axis X8 Apex2'
_diffrn_measurement_method       'omega and phi 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  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0343
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            63891
_diffrn_reflns_theta_full        34.98
_diffrn_reflns_theta_max         34.98
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    0.107
_exptl_absorpt_correction_T_max  0.9827
_exptl_absorpt_correction_T_min  0.9634
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.276
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             672
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.16
_refine_diff_density_max         0.354
_refine_diff_density_min         -0.224
_refine_diff_density_rms         0.044
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     301
_refine_ls_number_reflns         7194
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.044
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0407
_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)+(0.0453P)²+0.1430P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0905
_refine_ls_wR_factor_ref         0.1039
_reflns_number_gt                4708
_reflns_number_total             7194
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jp309102c_si_010.cif
_cod_data_source_block           x12129
_cod_original_cell_volume        1651.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1511792
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Li1 Li -0.17974(13) 0.16027(16) 0.72780(9) 0.0231(3) Uani 1 1 d . . .
N1 N -0.27650(6) 0.29988(8) 0.60507(5) 0.02233(14) Uani 1 1 d . A .
C1 C -0.20890(10) 0.29928(12) 0.56750(7) 0.0334(2) Uani 1 1 d . . .
H1A H -0.2136(10) 0.1943(14) 0.5440(8) 0.035(3) Uiso 1 1 d . . .
H1B H -0.1165(11) 0.3268(14) 0.6194(8) 0.038(3) Uiso 1 1 d . . .
H1C H -0.2494(11) 0.3726(14) 0.5139(8) 0.040(3) Uiso 1 1 d . . .
C2 C -0.41124(8) 0.24973(12) 0.52876(6) 0.0333(2) Uani 1 1 d . . .
H2A H -0.4554(11) 0.3218(15) 0.4695(9) 0.048(3) Uiso 1 1 d . . .
H2B H -0.4596(10) 0.2542(13) 0.5519(7) 0.035(3) Uiso 1 1 d . . .
H2C H -0.4091(11) 0.1423(15) 0.5100(9) 0.044(3) Uiso 1 1 d . . .
C3 C -0.27168(8) 0.45490(10) 0.63912(6) 0.02571(17) Uani 1 1 d . . .
H3A H -0.3331(10) 0.5233(13) 0.5833(8) 0.034(3) Uiso 1 1 d . . .
H3B H -0.1859(10) 0.4954(12) 0.6718(7) 0.027(2) Uiso 1 1 d . . .
C4 C -0.30004(8) 0.45318(10) 0.70617(6) 0.02529(16) Uani 1 1 d . A .
H4A H -0.3098(10) 0.5613(13) 0.7191(7) 0.033(3) Uiso 1 1 d . . .
H4B H -0.3830(11) 0.4041(13) 0.6757(8) 0.032(3) Uiso 1 1 d . . .
C5 C -0.08726(9) 0.47700(11) 0.86228(7) 0.03117(19) Uani 1 1 d . . .
H5A H -0.0559(10) 0.5167(13) 0.8300(8) 0.033(3) Uiso 1 1 d . . .
H5B H -0.0164(11) 0.4205(14) 0.9216(8) 0.040(3) Uiso 1 1 d . . .
H5C H -0.1154(10) 0.5656(13) 0.8798(8) 0.037(3) Uiso 1 1 d . . .
N2 N -0.19677(7) 0.37199(8) 0.79623(5) 0.02411(14) Uani 0.897(3) 1 d PD A 1
C6 C -0.24016(15) 0.31272(19) 0.84586(10) 0.0291(3) Uani 0.897(3) 1 d PD A 1
H6A H -0.2887 0.3938 0.8483 0.035 Uiso 0.897(3) 1 calc PR A 1
H6B H -0.1633 0.2852 0.9128 0.035 Uiso 0.897(3) 1 calc PR A 1
C7 C -0.32662(10) 0.17241(12) 0.79503(7) 0.0277(2) Uani 0.897(3) 1 d PD A 1
H7A H -0.3435 0.1272 0.8353 0.033 Uiso 0.897(3) 1 calc PR A 1
H7B H -0.4111 0.2048 0.7333 0.033 Uiso 0.897(3) 1 calc PR A 1
N3 N -0.26899(12) 0.05465(15) 0.77580(9) 0.0229(2) Uani 0.897(3) 1 d PD A 1
C8 C -0.15276(11) -0.01417(16) 0.86547(8) 0.0331(3) Uani 0.897(3) 1 d PD A 1
H8A H -0.0880 0.0660 0.9061 0.050 Uiso 0.897(3) 1 calc PR A 1
H8B H -0.1161 -0.0910 0.8503 0.050 Uiso 0.897(3) 1 calc PR A 1
H8C H -0.1767 -0.0634 0.8998 0.050 Uiso 0.897(3) 1 calc PR A 1
C9 C -0.3654(2) -0.0649(3) 0.71526(17) 0.0329(5) Uani 0.897(3) 1 d PD A 1
H9A H -0.4427 -0.0192 0.6555 0.049 Uiso 0.897(3) 1 calc PR A 1
H9B H -0.3894 -0.1140 0.7495 0.049 Uiso 0.897(3) 1 calc PR A 1
H9C H -0.3286 -0.1418 0.7002 0.049 Uiso 0.897(3) 1 calc PR A 1
N2' N -0.19677(7) 0.37199(8) 0.79623(5) 0.02411(14) Uani 0.103(3) 1 d PD A 2
C6' C -0.2845(13) 0.2869(15) 0.8138(9) 0.029(3) Uani 0.103(3) 1 d PD A 2
H6'1 H -0.2930 0.3517 0.8536 0.035 Uiso 0.103(3) 1 calc PR A 2
H6'2 H -0.3725 0.2659 0.7517 0.035 Uiso 0.103(3) 1 calc PR A 2
C7' C -0.2182(12) 0.1438(11) 0.8634(7) 0.040(3) Uani 0.103(3) 1 d PD A 2
H7'1 H -0.2595 0.0969 0.8865 0.048 Uiso 0.103(3) 1 calc PR A 2
H7'2 H -0.1264 0.1660 0.9203 0.048 Uiso 0.103(3) 1 calc PR A 2
N3' N -0.2223(9) 0.0344(12) 0.8009(8) 0.021(2) Uani 0.103(3) 1 d PD A 2
C8' C -0.1275(9) -0.0900(12) 0.8577(6) 0.028(2) Uani 0.103(3) 1 d PD A 2
H8'1 H -0.0400 -0.0463 0.9044 0.042 Uiso 0.103(3) 1 calc PR A 2
H8'2 H -0.1304 -0.1599 0.8146 0.042 Uiso 0.103(3) 1 calc PR A 2
H8'3 H -0.1488 -0.1465 0.8917 0.042 Uiso 0.103(3) 1 calc PR A 2
C9' C -0.3561(19) -0.038(3) 0.7327(14) 0.050(7) Uani 0.103(3) 1 d PD A 2
H9'1 H -0.3575 -0.1166 0.6940 0.075 Uiso 0.103(3) 1 calc PR A 2
H9'2 H -0.4209 0.0411 0.6902 0.075 Uiso 0.103(3) 1 calc PR A 2
H9'3 H -0.3765 -0.0851 0.7698 0.075 Uiso 0.103(3) 1 calc PR A 2
O1 O 0.00466(5) 0.20940(7) 0.79677(4) 0.02899(14) Uani 1 1 d . A .
O2 O 0.17122(7) 0.45556(8) 0.82595(5) 0.03447(15) Uani 1 1 d . . .
O3 O 0.15730(5) 0.18931(7) 0.95754(4) 0.02247(12) Uani 1 1 d . A .
O4 O 0.29694(5) 0.38160(7) 0.98065(4) 0.02724(13) Uani 1 1 d . A .
C10 C 0.10547(7) 0.24689(9) 0.87368(5) 0.02030(15) Uani 1 1 d . . .
C11 C 0.19497(8) 0.37497(9) 0.88889(6) 0.02306(15) Uani 1 1 d . A .
B1 B 0.28489(8) 0.26634(11) 1.03517(6) 0.02296(17) Uani 1 1 d . . .
F1 F 0.38323(5) 0.16104(6) 1.07925(4) 0.03220(13) Uani 1 1 d . A .
F2 F 0.28081(6) 0.33871(7) 1.09864(4) 0.03732(14) Uani 1 1 d . A .
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'
B B 0.0013 0.0007 '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_
_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
O1 Li1 O2 92.72(6) . 2_546
O1 Li1 N3' 118.1(3) . .
O2 Li1 N3' 89.0(3) 2_546 .
O1 Li1 N1 101.63(7) . .
O2 Li1 N1 100.17(7) 2_546 .
N3' Li1 N1 138.8(3) . .
O1 Li1 N3 131.16(8) . .
O2 Li1 N3 92.98(7) 2_546 .
N3' Li1 N3 14.0(2) . .
N1 Li1 N3 124.84(8) . .
O1 Li1 N2 90.94(6) . .
O2 Li1 N2 173.17(8) 2_546 .
N3' Li1 N2 84.2(3) . .
N1 Li1 N2 84.72(6) . .
N3 Li1 N2 80.28(6) . .
C2 N1 C1 108.96(8) . .
C2 N1 C3 111.07(7) . .
C1 N1 C3 109.67(7) . .
C2 N1 Li1 111.45(7) . .
C1 N1 Li1 111.03(7) . .
C3 N1 Li1 104.61(7) . .
N1 C1 H1A 109.0(6) . .
N1 C1 H1B 109.7(6) . .
H1A C1 H1B 108.8(9) . .
N1 C1 H1C 110.9(6) . .
H1A C1 H1C 109.1(9) . .
H1B C1 H1C 109.4(9) . .
N1 C2 H2A 108.9(7) . .
N1 C2 H2B 110.1(6) . .
H2A C2 H2B 109.6(9) . .
N1 C2 H2C 107.8(7) . .
H2A C2 H2C 109.2(10) . .
H2B C2 H2C 111.2(9) . .
N1 C3 C4 111.92(7) . .
N1 C3 H3A 109.8(6) . .
C4 C3 H3A 111.0(6) . .
N1 C3 H3B 107.4(6) . .
C4 C3 H3B 110.3(6) . .
H3A C3 H3B 106.3(9) . .
N2 C4 C3 110.85(7) . .
N2 C4 H4A 111.2(6) . .
C3 C4 H4A 109.2(6) . .
N2 C4 H4B 109.2(6) . .
C3 C4 H4B 110.8(6) . .
H4A C4 H4B 105.4(9) . .
N2 C5 H5A 108.8(6) . .
N2 C5 H5B 109.2(7) . .
H5A C5 H5B 110.0(9) . .
N2 C5 H5C 110.5(6) . .
H5A C5 H5C 109.2(9) . .
H5B C5 H5C 109.2(9) . .
C6 N2 C5 107.96(8) . .
C6 N2 C4 113.09(9) . .
C5 N2 C4 109.50(7) . .
C6 N2 Li1 106.32(8) . .
C5 N2 Li1 122.21(7) . .
C4 N2 Li1 97.59(6) . .
N2 C6 C7 111.42(10) . .
N2 C6 H6A 109.3 . .
C7 C6 H6A 109.3 . .
N2 C6 H6B 109.3 . .
C7 C6 H6B 109.3 . .
H6A C6 H6B 108.0 . .
N3 C7 C6 112.90(10) . .
N3 C7 H7A 109.0 . .
C6 C7 H7A 109.0 . .
N3 C7 H7B 109.0 . .
C6 C7 H7B 109.0 . .
H7A C7 H7B 107.8 . .
C9 N3 C7 109.10(14) . .
C9 N3 C8 109.44(15) . .
C7 N3 C8 111.49(11) . .
C9 N3 Li1 117.71(12) . .
C7 N3 Li1 109.85(9) . .
C8 N3 Li1 98.91(9) . .
N3 C8 H8A 109.5 . .
N3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
N3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
N3 C9 H9A 109.5 . .
N3 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
N3 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C7' C6' H6'1 110.4 . .
C7' C6' H6'2 110.4 . .
H6'1 C6' H6'2 108.6 . .
C6' C7' N3' 112.0(9) . .
C6' C7' H7'1 109.2 . .
N3' C7' H7'1 109.2 . .
C6' C7' H7'2 109.2 . .
N3' C7' H7'2 109.2 . .
H7'1 C7' H7'2 107.9 . .
C7' N3' C8' 111.0(9) . .
C7' N3' C9' 109.1(11) . .
C8' N3' C9' 107.5(12) . .
C7' N3' Li1 106.2(7) . .
C8' N3' Li1 111.0(6) . .
C9' N3' Li1 112.0(10) . .
N3' C8' H8'1 109.5 . .
N3' C8' H8'2 109.5 . .
H8'1 C8' H8'2 109.5 . .
N3' C8' H8'3 109.5 . .
H8'1 C8' H8'3 109.5 . .
H8'2 C8' H8'3 109.5 . .
N3' C9' H9'1 109.5 . .
N3' C9' H9'2 109.5 . .
H9'1 C9' H9'2 109.5 . .
N3' C9' H9'3 109.5 . .
H9'1 C9' H9'3 109.5 . .
H9'2 C9' H9'3 109.5 . .
C10 O1 Li1 143.36(7) . .
C11 O2 Li1 153.49(8) . 2_556
C10 O3 B1 110.14(6) . .
C11 O4 B1 110.15(7) . .
O1 C10 O3 127.02(8) . .
O1 C10 C11 124.65(8) . .
O3 C10 C11 108.33(6) . .
O2 C11 O4 127.24(8) . .
O2 C11 C10 124.61(8) . .
O4 C11 C10 108.13(7) . .
F2 B1 F1 112.18(7) . .
F2 B1 O3 110.53(7) . .
F1 B1 O3 109.67(7) . .
F2 B1 O4 110.33(8) . .
F1 B1 O4 110.56(7) . .
O3 B1 O4 103.20(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 O1 1.9808(16) .
Li1 O2 2.0804(16) 2_546
Li1 N3' 2.093(12) .
Li1 N1 2.1019(16) .
Li1 N3 2.1255(19) .
Li1 N2 2.3306(16) .
N1 C2 1.4670(12) .
N1 C1 1.4707(11) .
N1 C3 1.4729(12) .
C1 H1A 0.996(12) .
C1 H1B 0.989(12) .
C1 H1C 0.986(12) .
C2 H2A 1.042(12) .
C2 H2B 0.993(11) .
C2 H2C 1.005(13) .
C3 C4 1.5164(13) .
C3 H3A 0.992(11) .
C3 H3B 0.964(10) .
C4 N2 1.4731(11) .
C4 H4A 1.002(11) .
C4 H4B 0.972(11) .
C5 N2 1.4708(12) .
C5 H5A 0.994(11) .
C5 H5B 0.992(12) .
C5 H5C 1.005(12) .
N2 C6 1.4697(17) .
C6 C7 1.5210(17) .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C7 N3 1.4699(17) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
N3 C9 1.461(2) .
N3 C8 1.4711(15) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9800 .
C9 H9B 0.9800 .
C9 H9C 0.9800 .
C6' C7' 1.458(15) .
C6' H6'1 0.9900 .
C6' H6'2 0.9900 .
C7' N3' 1.466(12) .
C7' H7'1 0.9900 .
C7' H7'2 0.9900 .
N3' C8' 1.471(11) .
N3' C9' 1.515(17) .
C8' H8'1 0.9800 .
C8' H8'2 0.9800 .
C8' H8'3 0.9800 .
C9' H9'1 0.9800 .
C9' H9'2 0.9800 .
C9' H9'3 0.9800 .
O1 C10 1.2031(10) .
O2 C11 1.2039(11) .
O2 Li1 2.0804(16) 2_556
O3 C10 1.3055(11) .
O3 B1 1.5023(11) .
O4 C11 1.3074(11) .
O4 B1 1.5035(11) .
C10 C11 1.5376(12) .
B1 F2 1.3609(11) .
B1 F1 1.3675(11) .
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
O1 Li1 N1 C2 162.43(7) .
O2 Li1 N1 C2 67.49(8) 2_546
N3' Li1 N1 C2 -32.7(4) .
N3 Li1 N1 C2 -33.41(11) .
N2 Li1 N1 C2 -107.69(7) .
O1 Li1 N1 C1 40.77(9) .
O2 Li1 N1 C1 -54.17(8) 2_546
N3' Li1 N1 C1 -154.4(4) .
N3 Li1 N1 C1 -155.08(9) .
N2 Li1 N1 C1 130.64(7) .
O1 Li1 N1 C3 -77.46(7) .
O2 Li1 N1 C3 -172.40(6) 2_546
N3' Li1 N1 C3 87.4(4) .
N3 Li1 N1 C3 86.70(10) .
N2 Li1 N1 C3 12.42(6) .
C2 N1 C3 C4 77.70(9) .
C1 N1 C3 C4 -161.81(7) .
Li1 N1 C3 C4 -42.67(8) .
N1 C3 C4 N2 66.08(9) .
C3 C4 N2 C6 -157.00(9) .
C3 C4 N2 C5 82.57(8) .
C3 C4 N2 Li1 -45.58(8) .
O1 Li1 N2 C6 -123.60(8) .
O2 Li1 N2 C6 -1.2(6) 2_546
N3' Li1 N2 C6 -5.4(3) .
N1 Li1 N2 C6 134.80(8) .
N3 Li1 N2 C6 8.08(9) .
O1 Li1 N2 C5 0.76(9) .
O2 Li1 N2 C5 123.1(6) 2_546
N3' Li1 N2 C5 118.9(3) .
N1 Li1 N2 C5 -100.84(8) .
N3 Li1 N2 C5 132.44(8) .
O1 Li1 N2 C4 119.57(6) .
O2 Li1 N2 C4 -118.1(6) 2_546
N3' Li1 N2 C4 -122.3(3) .
N1 Li1 N2 C4 17.98(6) .
N3 Li1 N2 C4 -108.74(7) .
C5 N2 C6 C7 -164.41(10) .
C4 N2 C6 C7 74.27(13) .
Li1 N2 C6 C7 -31.66(13) .
N2 C6 C7 N3 50.73(15) .
C6 C7 N3 C9 -171.99(14) .
C6 C7 N3 C8 67.03(14) .
C6 C7 N3 Li1 -41.58(12) .
O1 Li1 N3 C9 -134.24(16) .
O2 Li1 N3 C9 -38.01(16) 2_546
N3' Li1 N3 C9 -111.5(13) .
N1 Li1 N3 C9 66.56(18) .
N2 Li1 N3 C9 143.10(15) .
O1 Li1 N3 C7 100.13(12) .
O2 Li1 N3 C7 -163.64(8) 2_546
N3' Li1 N3 C7 122.9(13) .
N1 Li1 N3 C7 -59.07(12) .
N2 Li1 N3 C7 17.46(8) .
O1 Li1 N3 C8 -16.67(14) .
O2 Li1 N3 C8 79.56(9) 2_546
N3' Li1 N3 C8 6.1(12) .
N1 Li1 N3 C8 -175.87(10) .
N2 Li1 N3 C8 -99.33(9) .
C6' C7' N3' C8' 165.0(10) .
C6' C7' N3' C9' -76.7(15) .
C6' C7' N3' Li1 44.2(10) .
O1 Li1 N3' C7' 79.4(7) .
O2 Li1 N3' C7' 171.9(7) 2_546
N1 Li1 N3' C7' -83.7(8) .
N3 Li1 N3' C7' -81.3(13) .
N2 Li1 N3' C7' -8.6(6) .
O1 Li1 N3' C8' -41.3(8) .
O2 Li1 N3' C8' 51.2(7) 2_546
N1 Li1 N3' C8' 155.5(6) .
N3 Li1 N3' C8' 158.0(18) .
N2 Li1 N3' C8' -129.3(7) .
O1 Li1 N3' C9' -161.5(9) .
O2 Li1 N3' C9' -69.0(10) 2_546
N1 Li1 N3' C9' 35.4(12) .
N3 Li1 N3' C9' 37.8(12) .
N2 Li1 N3' C9' 110.5(10) .
O2 Li1 O1 C10 -129.35(11) 2_546
N3' Li1 O1 C10 -39.1(3) .
N1 Li1 O1 C10 129.68(11) .
N3 Li1 O1 C10 -33.00(18) .
N2 Li1 O1 C10 44.87(13) .
Li1 O1 C10 O3 45.65(16) .
Li1 O1 C10 C11 -133.60(11) .
B1 O3 C10 O1 178.91(8) .
B1 O3 C10 C11 -1.74(8) .
Li1 O2 C11 O4 -29.9(2) 2_556
Li1 O2 C11 C10 148.41(13) 2_556
B1 O4 C11 O2 176.67(8) .
B1 O4 C11 C10 -1.83(9) .
O1 C10 C11 O2 3.14(13) .
O3 C10 C11 O2 -176.23(8) .
O1 C10 C11 O4 -178.31(7) .
O3 C10 C11 O4 2.32(9) .
C10 O3 B1 F2 118.65(7) .
C10 O3 B1 F1 -117.15(7) .
C10 O3 B1 O4 0.69(8) .
C11 O4 B1 F2 -117.26(8) .
C11 O4 B1 F1 118.06(8) .
C11 O4 B1 O3 0.84(8) .
