#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:38:38 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178957 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/86/4118673.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_4118673
loop_
_publ_author_name
'Daniel A. Evans'
'Alan H. Cowley'
_publ_section_title
;
 Unique Radical Dearomatization and Two-Electron Reduction of a
 Redox-Active Ligand
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              15672
_journal_page_last               15675
_journal_paper_doi               10.1021/ja307050r
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C88 H116 Li4 N4, C6 H6'
_chemical_formula_sum            'C94 H122 Li4 N4'
_chemical_formula_weight         1335.72
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.698(9)
_cell_angle_beta                 99.299(10)
_cell_angle_gamma                105.796(9)
_cell_formula_units_Z            2
_cell_length_a                   12.916(2)
_cell_length_b                   13.320(3)
_cell_length_c                   25.385(5)
_cell_measurement_reflns_used    14176
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      31.1552
_cell_measurement_theta_min      1.6375
_cell_volume                     4024.0(14)
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_structure_refinement  'XL SHELXTL/PC, Siemens Analytical'
_computing_structure_solution
;

SIR97 - Altomare A., Burla M.C., Camalli M., Cascarano G.L., Giacovazzo C., 
Guagliardi A., Moliterni A.G.G., Polidori G.,Spagna R.
;
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Rigaku AFC-12 with Saturn 724+ CCD'
_diffrn_measurement_method       ω-scans
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0897
_diffrn_reflns_av_sigmaI/netI    0.0736
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            85689
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    0.062
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8241
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Abscor. T. Higashi. (2001). Rigaku Corp. Tokyo, Japan
;
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.102
_exptl_crystal_description       Chip
_exptl_crystal_F_000             1452
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.388
_refine_diff_density_min         -0.337
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     970
_refine_ls_number_reflns         18485
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1214
_refine_ls_R_factor_gt           0.0953
_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)+(0.0993P)²+3.0319P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2224
_refine_ls_wR_factor_ref         0.2397
_reflns_number_gt                15079
_reflns_number_total             18485
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja307050r_si_001.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        4024.1(14)
_cod_database_code               4118673
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.3449(2) 0.20126(19) 0.15823(10) 0.0192(5) Uani 1 1 d .
C2 C 0.33060(19) 0.25309(19) 0.11181(10) 0.0193(5) Uani 1 1 d .
C1A C 1.0731(3) 0.5897(3) 0.53834(13) 0.0436(8) Uani 1 1 d .
C3A C 1.0341(3) 0.4514(3) 0.45602(14) 0.0474(9) Uani 1 1 d .
C2A C 1.1068(3) 0.5399(3) 0.49434(14) 0.0443(8) Uani 1 1 d .
C3 C 0.2479(2) 0.2335(2) 0.06519(10) 0.0244(5) Uani 1 1 d .
H3 H 0.1802 0.1773 0.0585 0.029 Uiso 1 1 calc R
C4 C 0.2675(2) 0.2996(2) 0.02832(11) 0.0282(6) Uani 1 1 d .
H4 H 0.2126 0.2864 -0.0041 0.034 Uiso 1 1 calc R
C4A C 0.9409(4) 0.3928(3) -0.0201(2) 0.0649(12) Uani 1 1 d .
C5 C 0.3653(2) 0.3840(2) 0.03816(11) 0.0280(6) Uani 1 1 d .
H5 H 0.3769 0.4255 0.0118 0.034 Uiso 1 1 calc R
C6A C 1.0871(4) 0.5322(4) 0.0450(2) 0.0633(11) Uani 1 1 d .
C6 C 0.4469(2) 0.4083(2) 0.08635(10) 0.0230(5) Uani 1 1 d .
C5A C 1.0286(4) 0.4249(4) 0.0248(2) 0.0635(11) Uani 1 1 d .
C7 C 0.4273(2) 0.3402(2) 0.12083(10) 0.0202(5) Uani 1 1 d .
C8 C 0.5527(2) 0.5042(2) 0.10282(11) 0.0244(5) Uani 1 1 d .
H8 H 0.5803 0.5091 0.0685 0.029 Uiso 1 1 calc R
C9 C 0.6464(2) 0.4860(2) 0.14424(11) 0.0250(5) Uani 1 1 d .
H9 H 0.6894 0.5589 0.1683 0.030 Uiso 1 1 calc R
C10 C 0.6061(2) 0.4174(2) 0.18321(10) 0.0220(5) Uani 1 1 d .
H10 H 0.6554 0.4243 0.2167 0.026 Uiso 1 1 calc R
C11 C 0.5034(2) 0.34754(19) 0.17197(10) 0.0193(5) Uani 1 1 d .
C12 C 0.44453(19) 0.26143(19) 0.19563(10) 0.0175(5) Uani 1 1 d .
C13 C 0.1997(2) 0.0358(2) 0.11662(10) 0.0230(5) Uani 1 1 d .
C14 C 0.0840(2) 0.0111(2) 0.11188(12) 0.0313(6) Uani 1 1 d .
C15 C 0.0114(2) -0.0654(3) 0.06638(14) 0.0403(7) Uani 1 1 d .
H15 H -0.0658 -0.0835 0.0642 0.048 Uiso 1 1 calc R
C16 C 0.0496(3) -0.1150(3) 0.02473(14) 0.0433(8) Uani 1 1 d .
H16 H -0.0009 -0.1670 -0.0060 0.052 Uiso 1 1 calc R
C17 C 0.1621(3) -0.0887(2) 0.02781(12) 0.0361(7) Uani 1 1 d .
H17 H 0.1879 -0.1219 -0.0016 0.043 Uiso 1 1 calc R
C18 C 0.2384(2) -0.0151(2) 0.07280(11) 0.0271(6) Uani 1 1 d .
C19 C 0.0350(2) 0.0694(2) 0.15406(13) 0.0340(7) Uani 1 1 d .
H19 H 0.0978 0.1268 0.1810 0.041 Uiso 1 1 calc R
C20 C -0.0416(3) 0.1252(3) 0.12721(16) 0.0501(9) Uani 1 1 d .
H20A H -0.1055 0.0709 0.1013 0.075 Uiso 1 1 calc R
H20B H -0.0012 0.1738 0.1075 0.075 Uiso 1 1 calc R
H20C H -0.0669 0.1665 0.1557 0.075 Uiso 1 1 calc R
C21 C -0.0247(3) -0.0046(3) 0.18631(14) 0.0460(8) Uani 1 1 d .
H21A H -0.0884 -0.0607 0.1612 0.069 Uiso 1 1 calc R
H21B H -0.0501 0.0374 0.2146 0.069 Uiso 1 1 calc R
H21C H 0.0259 -0.0379 0.2039 0.069 Uiso 1 1 calc R
C22 C 0.3607(2) 0.0059(2) 0.07284(12) 0.0324(6) Uani 1 1 d .
H22 H 0.4043 0.0565 0.1087 0.039 Uiso 1 1 calc R
C23 C 0.3938(3) -0.0972(3) 0.06794(15) 0.0439(8) Uani 1 1 d .
H23A H 0.3529 -0.1479 0.0328 0.066 Uiso 1 1 calc R
H23B H 0.3765 -0.1298 0.0983 0.066 Uiso 1 1 calc R
H23C H 0.4732 -0.0796 0.0696 0.066 Uiso 1 1 calc R
C24 C 0.3940(3) 0.0587(3) 0.02650(17) 0.0554(10) Uani 1 1 d .
H24A H 0.4739 0.0761 0.0301 0.083 Uiso 1 1 calc R
H24B H 0.3734 0.1248 0.0291 0.083 Uiso 1 1 calc R
H24C H 0.3557 0.0089 -0.0092 0.083 Uiso 1 1 calc R
C25 C 0.5919(2) 0.2759(2) 0.27008(10) 0.0200(5) Uani 1 1 d .
C26 C 0.6387(2) 0.3642(2) 0.31653(10) 0.0216(5) Uani 1 1 d .
C27 C 0.7531(2) 0.3988(2) 0.33710(11) 0.0259(6) Uani 1 1 d .
H27 H 0.7851 0.4579 0.3682 0.031 Uiso 1 1 calc R
C28 C 0.8205(2) 0.3488(2) 0.31316(12) 0.0296(6) Uani 1 1 d .
H28 H 0.8982 0.3751 0.3270 0.035 Uiso 1 1 calc R
C29 C 0.7748(2) 0.2606(2) 0.26907(11) 0.0265(6) Uani 1 1 d .
H29 H 0.8214 0.2254 0.2534 0.032 Uiso 1 1 calc R
C30 C 0.6614(2) 0.2223(2) 0.24711(10) 0.0222(5) Uani 1 1 d .
C31 C 0.5677(2) 0.4233(2) 0.34390(11) 0.0243(5) Uani 1 1 d .
H31 H 0.5004 0.3673 0.3465 0.029 Uiso 1 1 calc R
C32 C 0.5278(2) 0.4957(2) 0.30985(12) 0.0285(6) Uani 1 1 d .
H32A H 0.5906 0.5574 0.3106 0.043 Uiso 1 1 calc R
H32B H 0.4724 0.5211 0.3255 0.043 Uiso 1 1 calc R
H32C H 0.4951 0.4544 0.2717 0.043 Uiso 1 1 calc R
C33 C 0.6235(2) 0.4915(2) 0.40247(12) 0.0341(7) Uani 1 1 d .
H33A H 0.6526 0.4478 0.4243 0.051 Uiso 1 1 calc R
H33B H 0.5694 0.5170 0.4194 0.051 Uiso 1 1 calc R
H33C H 0.6841 0.5533 0.4011 0.051 Uiso 1 1 calc R
C34 C 0.6116(2) 0.1210(2) 0.20063(11) 0.0255(5) Uani 1 1 d .
H34 H 0.5423 0.1264 0.1790 0.031 Uiso 1 1 calc R
C35 C 0.5798(3) 0.0212(2) 0.22415(13) 0.0365(7) Uani 1 1 d .
H35A H 0.5395 -0.0423 0.1941 0.055 Uiso 1 1 d R
H35B H 0.5328 0.0314 0.2501 0.055 Uiso 1 1 d R
H35C H 0.6469 0.0107 0.2433 0.055 Uiso 1 1 d R
C36 C 0.6864(3) 0.1046(3) 0.16076(12) 0.0359(7) Uani 1 1 d .
H36A H 0.7104 0.1695 0.1473 0.054 Uiso 1 1 calc R
H36B H 0.6453 0.0434 0.1296 0.054 Uiso 1 1 calc R
H36C H 0.7511 0.0903 0.1799 0.054 Uiso 1 1 calc R
C41 C 0.7315(2) 0.4450(3) 0.11563(12) 0.0321(6) Uani 1 1 d .
C42 C 0.7920(3) 0.5297(3) 0.08783(15) 0.0459(9) Uani 1 1 d .
H42A H 0.8484 0.5056 0.0724 0.069 Uiso 1 1 calc R
H42B H 0.8273 0.5984 0.1151 0.069 Uiso 1 1 calc R
H42C H 0.7389 0.5389 0.0583 0.069 Uiso 1 1 calc R
C43 C 0.8207(2) 0.4308(3) 0.15926(13) 0.0380(7) Uani 1 1 d .
H43A H 0.7876 0.3707 0.1747 0.057 Uiso 1 1 calc R
H43B H 0.8518 0.4969 0.1887 0.057 Uiso 1 1 calc R
H43C H 0.8794 0.4158 0.1421 0.057 Uiso 1 1 calc R
C44 C 0.6743(3) 0.3381(3) 0.07336(13) 0.0399(7) Uani 1 1 d .
H44A H 0.7296 0.3125 0.0576 0.060 Uiso 1 1 calc R
H44B H 0.6215 0.3481 0.0440 0.060 Uiso 1 1 calc R
H44C H 0.6352 0.2851 0.0913 0.060 Uiso 1 1 calc R
C37 C 0.5314(2) 0.6141(2) 0.12372(12) 0.0306(6) Uani 1 1 d .
C40 C 0.6351(3) 0.7087(2) 0.12795(14) 0.0388(7) Uani 1 1 d .
H40A H 0.6208 0.7768 0.1405 0.058 Uiso 1 1 calc R
H40B H 0.6532 0.7053 0.0918 0.058 Uiso 1 1 calc R
H40C H 0.6972 0.7043 0.1542 0.058 Uiso 1 1 calc R
C39 C 0.4381(3) 0.6285(3) 0.08287(16) 0.0450(8) Uani 1 1 d .
H39A H 0.3684 0.5739 0.0811 0.068 Uiso 1 1 calc R
H39B H 0.4550 0.6207 0.0463 0.068 Uiso 1 1 calc R
H39C H 0.4315 0.7003 0.0951 0.068 Uiso 1 1 calc R
C38 C 0.5012(3) 0.6218(3) 0.17986(14) 0.0433(8) Uani 1 1 d .
H38A H 0.4866 0.6900 0.1913 0.065 Uiso 1 1 calc R
H38B H 0.5625 0.6182 0.2070 0.065 Uiso 1 1 calc R
H38C H 0.4350 0.5619 0.1772 0.065 Uiso 1 1 calc R
C45 C 0.1947(2) 0.14028(19) 0.31443(10) 0.0193(5) Uani 1 1 d .
C46 C 0.0899(2) 0.1245(2) 0.33287(10) 0.0211(5) Uani 1 1 d .
C47 C 0.0199(2) 0.1863(2) 0.34079(11) 0.0246(5) Uani 1 1 d .
H47 H 0.0354 0.2555 0.3334 0.029 Uiso 1 1 calc R
C48 C -0.0746(2) 0.1427(2) 0.36014(12) 0.0280(6) Uani 1 1 d .
H48 H -0.1231 0.1839 0.3661 0.034 Uiso 1 1 calc R
C49 C -0.0991(2) 0.0415(2) 0.37078(12) 0.0283(6) Uani 1 1 d .
H49 H -0.1625 0.0156 0.3847 0.034 Uiso 1 1 calc R
C50 C -0.0311(2) -0.0232(2) 0.36116(11) 0.0251(5) Uani 1 1 d .
C51 C 0.0620(2) 0.0221(2) 0.34340(10) 0.0218(5) Uani 1 1 d .
C52 C -0.0532(2) -0.1384(2) 0.36676(12) 0.0290(6) Uani 1 1 d .
H52 H -0.0865 -0.1424 0.3995 0.035 Uiso 1 1 calc R
C53 C 0.0563(2) -0.1672(2) 0.37991(12) 0.0276(6) Uani 1 1 d .
H53 H 0.0353 -0.2470 0.3658 0.033 Uiso 1 1 calc R
C54 C 0.1430(2) -0.1197(2) 0.34956(11) 0.0242(5) Uani 1 1 d .
H54 H 0.1961 -0.1547 0.3425 0.029 Uiso 1 1 calc R
C55 C 0.1462(2) -0.0292(2) 0.33246(10) 0.0209(5) Uani 1 1 d .
C56 C 0.2247(2) 0.04665(19) 0.31039(10) 0.0190(5) Uani 1 1 d .
C57 C 0.2577(2) 0.3336(2) 0.33173(11) 0.0219(5) Uani 1 1 d .
C58 C 0.2308(2) 0.4079(2) 0.30262(12) 0.0257(6) Uani 1 1 d .
C59 C 0.2495(2) 0.5142(2) 0.33080(13) 0.0315(6) Uani 1 1 d .
H59 H 0.2334 0.5640 0.3109 0.038 Uiso 1 1 calc R
C60 C 0.2907(3) 0.5481(2) 0.38687(14) 0.0363(7) Uani 1 1 d .
H60 H 0.3058 0.6211 0.4054 0.044 Uiso 1 1 calc R
C61 C 0.3099(2) 0.4737(2) 0.41596(13) 0.0322(6) Uani 1 1 d .
H61 H 0.3349 0.4965 0.4548 0.039 Uiso 1 1 calc R
C62 C 0.2939(2) 0.3672(2) 0.39024(11) 0.0245(5) Uani 1 1 d .
C63 C 0.1757(2) 0.3743(2) 0.24155(12) 0.0289(6) Uani 1 1 d .
H63 H 0.1659 0.2960 0.2284 0.035 Uiso 1 1 calc R
C64 C 0.2421(3) 0.4337(2) 0.20599(13) 0.0347(7) Uani 1 1 d .
H64A H 0.2022 0.4068 0.1674 0.052 Uiso 1 1 calc R
H64B H 0.3142 0.4218 0.2100 0.052 Uiso 1 1 calc R
H64C H 0.2525 0.5109 0.2177 0.052 Uiso 1 1 calc R
C65 C 0.0600(3) 0.3883(3) 0.23234(16) 0.0484(9) Uani 1 1 d .
H65A H 0.0669 0.4645 0.2448 0.073 Uiso 1 1 calc R
H65B H 0.0151 0.3465 0.2532 0.073 Uiso 1 1 calc R
H65C H 0.0244 0.3629 0.1931 0.073 Uiso 1 1 calc R
C66 C 0.3148(2) 0.2919(2) 0.42651(11) 0.0269(6) Uani 1 1 d .
H66 H 0.3012 0.2195 0.4018 0.032 Uiso 1 1 calc R
C67 C 0.2344(3) 0.2792(3) 0.46522(12) 0.0344(7) Uani 1 1 d .
H67A H 0.2431 0.3498 0.4885 0.052 Uiso 1 1 calc R
H67B H 0.2504 0.2318 0.4885 0.052 Uiso 1 1 calc R
H67C H 0.1584 0.2479 0.4434 0.052 Uiso 1 1 calc R
C68 C 0.4339(2) 0.3288(2) 0.46081(12) 0.0331(6) Uani 1 1 d .
H68A H 0.4513 0.4020 0.4833 0.050 Uiso 1 1 calc R
H68B H 0.4849 0.3277 0.4362 0.050 Uiso 1 1 calc R
H68C H 0.4413 0.2802 0.4848 0.050 Uiso 1 1 calc R
C69 C 0.3573(2) -0.0492(2) 0.30016(11) 0.0218(5) Uani 1 1 d .
C70 C 0.3122(2) -0.1531(2) 0.26481(12) 0.0281(6) Uani 1 1 d .
C71 C 0.3614(2) -0.2317(2) 0.27307(13) 0.0333(6) Uani 1 1 d .
H71 H 0.3317 -0.3015 0.2490 0.040 Uiso 1 1 calc R
C72 C 0.4520(3) -0.2109(2) 0.31530(14) 0.0384(7) Uani 1 1 d .
H72 H 0.4853 -0.2652 0.3197 0.046 Uiso 1 1 calc R
C73 C 0.4936(3) -0.1112(2) 0.35088(13) 0.0370(7) Uani 1 1 d .
H73 H 0.5552 -0.0973 0.3803 0.044 Uiso 1 1 calc R
C74 C 0.4473(2) -0.0292(2) 0.34486(11) 0.0268(6) Uani 1 1 d .
C75 C 0.2091(3) -0.1826(2) 0.21898(13) 0.0380(7) Uani 1 1 d .
H75 H 0.1708 -0.1275 0.2269 0.046 Uiso 1 1 calc R
C76 C 0.1265(3) -0.2950(3) 0.21466(16) 0.0480(8) Uani 1 1 d .
H76A H 0.0573 -0.3050 0.1888 0.072 Uiso 1 1 calc R
H76B H 0.1118 -0.2995 0.2510 0.072 Uiso 1 1 calc R
H76C H 0.1585 -0.3511 0.2015 0.072 Uiso 1 1 calc R
C77 C 0.2405(3) -0.1803(3) 0.16468(15) 0.0514(9) Uani 1 1 d .
H77A H 0.2948 -0.1107 0.1676 0.077 Uiso 1 1 calc R
H77B H 0.1747 -0.1906 0.1364 0.077 Uiso 1 1 calc R
H77C H 0.2725 -0.2379 0.1546 0.077 Uiso 1 1 calc R
C78 C 0.4961(2) 0.0784(2) 0.38713(12) 0.0315(6) Uani 1 1 d .
H78 H 0.4494 0.1246 0.3784 0.038 Uiso 1 1 calc R
C79 C 0.6142(3) 0.1377(3) 0.38502(13) 0.0417(8) Uani 1 1 d .
H79A H 0.6625 0.0952 0.3942 0.063 Uiso 1 1 calc R
H79B H 0.6401 0.2078 0.4116 0.063 Uiso 1 1 calc R
H79C H 0.6157 0.1483 0.3479 0.063 Uiso 1 1 calc R
C80 C 0.4916(3) 0.0644(3) 0.44543(12) 0.0395(7) Uani 1 1 d .
H80A H 0.4148 0.0315 0.4470 0.059 Uiso 1 1 calc R
H80B H 0.5218 0.1349 0.4717 0.059 Uiso 1 1 calc R
H80C H 0.5353 0.0180 0.4549 0.059 Uiso 1 1 calc R
C81 C -0.1414(2) -0.2209(2) 0.31636(14) 0.0371(7) Uani 1 1 d .
C82 C -0.1068(3) -0.2161(3) 0.26249(15) 0.0613(11) Uani 1 1 d .
H82A H -0.1651 -0.2671 0.2322 0.092 Uiso 1 1 calc R
H82B H -0.0384 -0.2350 0.2633 0.092 Uiso 1 1 calc R
H82C H -0.0945 -0.1432 0.2570 0.092 Uiso 1 1 calc R
C83 C -0.2522(3) -0.1980(3) 0.31301(19) 0.0574(10) Uani 1 1 d .
H83A H -0.2445 -0.1273 0.3052 0.086 Uiso 1 1 calc R
H83B H -0.2744 -0.1988 0.3481 0.086 Uiso 1 1 calc R
H83C H -0.3086 -0.2534 0.2835 0.086 Uiso 1 1 calc R
C84 C -0.1616(3) -0.3359(3) 0.32396(19) 0.0572(10) Uani 1 1 d .
H84A H -0.2266 -0.3845 0.2964 0.086 Uiso 1 1 calc R
H84B H -0.1743 -0.3376 0.3609 0.086 Uiso 1 1 calc R
H84C H -0.0969 -0.3587 0.3195 0.086 Uiso 1 1 calc R
C85 C 0.1078(2) -0.1438(2) 0.44309(12) 0.0333(6) Uani 1 1 d .
C86 C 0.0245(3) -0.2065(3) 0.47186(14) 0.0425(8) Uani 1 1 d .
H86A H 0.0605 -0.1978 0.5102 0.064 Uiso 1 1 calc R
H86B H -0.0014 -0.2830 0.4529 0.064 Uiso 1 1 calc R
H86C H -0.0384 -0.1787 0.4707 0.064 Uiso 1 1 calc R
C87 C 0.2085(3) -0.1849(3) 0.45073(13) 0.0397(7) Uani 1 1 d .
H87A H 0.2663 -0.1429 0.4357 0.059 Uiso 1 1 calc R
H87B H 0.1865 -0.2609 0.4313 0.059 Uiso 1 1 calc R
H87C H 0.2366 -0.1771 0.4900 0.059 Uiso 1 1 calc R
C88 C 0.1439(3) -0.0239(3) 0.47099(13) 0.0420(8) Uani 1 1 d .
H88A H 0.0791 0.0013 0.4688 0.063 Uiso 1 1 calc R
H88B H 0.1960 0.0162 0.4524 0.063 Uiso 1 1 calc R
H88C H 0.1797 -0.0122 0.5097 0.063 Uiso 1 1 calc R
N1 N 0.27384(17) 0.10726(16) 0.16573(8) 0.0209(4) Uani 1 1 d .
N2 N 0.47490(16) 0.23800(16) 0.24760(8) 0.0179(4) Uani 1 1 d .
N3 N 0.25870(17) 0.23216(16) 0.30150(9) 0.0194(4) Uani 1 1 d .
N4 N 0.31720(17) 0.03818(16) 0.28958(9) 0.0206(4) Uani 1 1 d .
Li1 Li 0.3465(5) 0.3013(5) 0.2528(3) 0.0508(16) Uani 1 1 d .
Li2 Li 0.3871(4) 0.0727(3) 0.22171(19) 0.0251(9) Uani 1 1 d .
Li3 Li 0.4072(3) 0.1950(4) 0.31009(18) 0.0237(9) Uani 1 1 d .
Li4 Li 0.2065(4) 0.0872(6) 0.2292(2) 0.0520(16) Uani 1 1 d .
H1A H 1.129(3) 0.653(3) 0.5674(15) 0.045(10) Uiso 1 1 d .
H2A H 1.187(3) 0.574(3) 0.4923(16) 0.062(12) Uiso 1 1 d .
H3A H 1.059(3) 0.417(3) 0.4250(15) 0.048(10) Uiso 1 1 d .
H6A H 1.144(4) 0.549(4) 0.076(2) 0.081(15) Uiso 1 1 d .
H5A H 1.043(4) 0.371(4) 0.043(2) 0.103(18) Uiso 1 1 d .
H4A H 0.897(4) 0.320(4) -0.0355(19) 0.077(14) 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'
N N 0.0061 0.0033 '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'
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 C12 123.1(2) . .
N1 C1 C2 127.9(2) . .
C12 C1 C2 109.0(2) . .
N1 C1 Li1 90.4(2) . .
C12 C1 Li1 59.10(19) . .
C2 C1 Li1 118.7(2) . .
N1 C1 Li2 50.62(15) . .
C12 C1 Li2 74.68(17) . .
C2 C1 Li2 164.3(2) . .
Li1 C1 Li2 76.51(17) . .
C3 C2 C7 118.6(2) . .
C3 C2 C1 134.9(2) . .
C7 C2 C1 106.5(2) . .
C2A C1A C3A 119.4(4) . 2_766
C2A C1A H1A 120(2) . .
C3A C1A H1A 121(2) 2_766 .
C2A C3A C1A 120.2(3) . 2_766
C2A C3A H3A 120(2) . .
C1A C3A H3A 120(2) 2_766 .
C3A C2A C1A 120.4(4) . .
C3A C2A H2A 124(2) . .
C1A C2A H2A 116(2) . .
C2 C3 C4 118.0(2) . .
C2 C3 H3 121.0 . .
C4 C3 H3 121.0 . .
C5 C4 C3 121.7(2) . .
C5 C4 H4 119.1 . .
C3 C4 H4 119.1 . .
C6A C4A C5A 120.0(4) 2_765 .
C6A C4A H4A 116(3) 2_765 .
C5A C4A H4A 124(3) . .
C4 C5 C6 121.0(2) . .
C4 C5 H5 119.5 . .
C6 C5 H5 119.5 . .
C4A C6A C5A 119.9(5) 2_765 .
C4A C6A H6A 124(3) 2_765 .
C5A C6A H6A 116(3) . .
C7 C6 C5 116.0(2) . .
C7 C6 C8 119.2(2) . .
C5 C6 C8 124.8(2) . .
C6A C5A C4A 120.0(4) . .
C6A C5A H5A 122(3) . .
C4A C5A H5A 118(3) . .
C6 C7 C2 124.5(2) . .
C6 C7 C11 125.2(2) . .
C2 C7 C11 110.2(2) . .
C6 C8 C9 112.2(2) . .
C6 C8 C37 112.7(2) . .
C9 C8 C37 112.5(2) . .
C6 C8 H8 106.3 . .
C9 C8 H8 106.3 . .
C37 C8 H8 106.3 . .
C10 C9 C8 115.1(2) . .
C10 C9 C41 110.9(2) . .
C8 C9 C41 113.4(2) . .
C10 C9 H9 105.5 . .
C8 C9 H9 105.5 . .
C41 C9 H9 105.5 . .
C11 C10 C9 122.6(2) . .
C11 C10 H10 118.7 . .
C9 C10 H10 118.7 . .
C10 C11 C7 118.0(2) . .
C10 C11 C12 136.1(2) . .
C7 C11 C12 105.4(2) . .
C1 C12 N2 121.8(2) . .
C1 C12 C11 108.5(2) . .
N2 C12 C11 129.7(2) . .
C1 C12 Li1 87.1(2) . .
N2 C12 Li1 66.71(19) . .
C11 C12 Li1 117.9(2) . .
C1 C12 Li2 74.78(17) . .
N2 C12 Li2 51.96(15) . .
C11 C12 Li2 159.00(19) . .
Li1 C12 Li2 82.7(2) . .
C14 C13 C18 118.4(2) . .
C14 C13 N1 119.6(2) . .
C18 C13 N1 122.0(2) . .
C14 C13 Li4 83.2(2) . .
C18 C13 Li4 148.4(2) . .
C15 C14 C13 119.9(3) . .
C15 C14 C19 118.0(3) . .
C13 C14 C19 122.0(2) . .
C16 C15 C14 121.2(3) . .
C16 C15 H15 119.4 . .
C14 C15 H15 119.4 . .
C15 C16 C17 119.5(3) . .
C15 C16 H16 120.2 . .
C17 C16 H16 120.2 . .
C16 C17 C18 121.8(3) . .
C16 C17 H17 119.1 . .
C18 C17 H17 119.1 . .
C17 C18 C13 119.1(3) . .
C17 C18 C22 117.6(3) . .
C13 C18 C22 123.3(2) . .
C14 C19 C21 112.4(3) . .
C14 C19 C20 111.6(3) . .
C21 C19 C20 110.7(3) . .
C14 C19 Li4 88.4(2) . .
C21 C19 Li4 82.5(2) . .
C20 C19 Li4 147.6(3) . .
C14 C19 H19 107.3 . .
C21 C19 H19 107.3 . .
C20 C19 H19 107.3 . .
C19 C20 H20A 109.5 . .
C19 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C19 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C19 C21 H21A 109.5 . .
C19 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C19 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C18 C22 C23 112.2(2) . .
C18 C22 C24 112.5(3) . .
C23 C22 C24 108.5(3) . .
C18 C22 H22 107.8 . .
C23 C22 H22 107.8 . .
C24 C22 H22 107.8 . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C22 C24 H24A 109.5 . .
C22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C30 C25 C26 119.3(2) . .
C30 C25 N2 120.1(2) . .
C26 C25 N2 120.6(2) . .
C30 C25 Li3 129.78(19) . .
C26 C25 Li3 92.95(18) . .
N2 C25 Li3 45.12(14) . .
C27 C26 C25 118.8(2) . .
C27 C26 C31 119.6(2) . .
C25 C26 C31 121.6(2) . .
C28 C27 C26 121.5(3) . .
C28 C27 H27 119.3 . .
C26 C27 H27 119.3 . .
C27 C28 C29 119.8(2) . .
C27 C28 H28 120.1 . .
C29 C28 H28 120.1 . .
C28 C29 C30 121.1(3) . .
C28 C29 H29 119.4 . .
C30 C29 H29 119.4 . .
C29 C30 C25 119.4(2) . .
C29 C30 C34 120.4(2) . .
C25 C30 C34 120.2(2) . .
C26 C31 C33 114.3(2) . .
C26 C31 C32 112.8(2) . .
C33 C31 C32 108.2(2) . .
C26 C31 H31 107.1 . .
C33 C31 H31 107.1 . .
C32 C31 H31 107.1 . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
C30 C34 C36 114.4(2) . .
C30 C34 C35 110.3(2) . .
C36 C34 C35 109.1(2) . .
C30 C34 H34 107.6 . .
C36 C34 H34 107.6 . .
C35 C34 H34 107.6 . .
C34 C35 Li2 81.79(19) . .
C34 C35 H35A 109.5 . .
Li2 C35 H35A 88.7 . .
C34 C35 H35B 109.6 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.3 . .
Li2 C35 H35C 152.8 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C34 C36 H36A 109.5 . .
C34 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C34 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C44 C41 C43 109.2(3) . .
C44 C41 C42 110.1(3) . .
C43 C41 C42 106.4(2) . .
C44 C41 C9 111.2(2) . .
C43 C41 C9 109.8(2) . .
C42 C41 C9 110.1(3) . .
C41 C42 H42A 109.5 . .
C41 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C41 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C41 C43 H43A 109.5 . .
C41 C43 H43B 109.5 . .
H43A C43 H43B 109.5 . .
C41 C43 H43C 109.5 . .
H43A C43 H43C 109.5 . .
H43B C43 H43C 109.5 . .
C41 C44 H44A 109.5 . .
C41 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C41 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C38 C37 C39 108.6(3) . .
C38 C37 C40 109.3(3) . .
C39 C37 C40 106.0(2) . .
C38 C37 C8 111.3(2) . .
C39 C37 C8 111.3(2) . .
C40 C37 C8 110.1(2) . .
C37 C40 H40A 109.5 . .
C37 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C37 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C37 C39 H39A 109.5 . .
C37 C39 H39B 109.5 . .
H39A C39 H39B 109.5 . .
C37 C39 H39C 109.5 . .
H39A C39 H39C 109.5 . .
H39B C39 H39C 109.5 . .
C37 C38 H38A 109.5 . .
C37 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C37 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C56 C45 N3 122.0(2) . .
C56 C45 C46 109.7(2) . .
N3 C45 C46 128.2(2) . .
C56 C45 Li4 72.6(2) . .
N3 C45 Li4 74.5(2) . .
C46 C45 Li4 124.4(2) . .
C56 C45 Li3 73.43(17) . .
N3 C45 Li3 51.20(15) . .
C46 C45 Li3 164.3(2) . .
Li4 C45 Li3 71.25(18) . .
C47 C46 C51 118.7(2) . .
C47 C46 C45 134.7(2) . .
C51 C46 C45 106.6(2) . .
C46 C47 C48 117.8(2) . .
C46 C47 H47 121.1 . .
C48 C47 H47 121.1 . .
C49 C48 C47 122.0(2) . .
C49 C48 H48 119.0 . .
C47 C48 H48 119.0 . .
C48 C49 C50 120.8(2) . .
C48 C49 H49 119.6 . .
C50 C49 H49 119.6 . .
C51 C50 C49 116.0(2) . .
C51 C50 C52 117.9(2) . .
C49 C50 C52 126.1(2) . .
C50 C51 C46 124.6(2) . .
C50 C51 C55 125.4(2) . .
C46 C51 C55 110.0(2) . .
C50 C52 C53 111.8(2) . .
C50 C52 C81 112.1(2) . .
C53 C52 C81 113.5(2) . .
C50 C52 H52 106.3 . .
C53 C52 H52 106.3 . .
C81 C52 H52 106.3 . .
C54 C53 C52 114.2(2) . .
C54 C53 C85 110.9(2) . .
C52 C53 C85 113.9(2) . .
C54 C53 H53 105.6 . .
C52 C53 H53 105.6 . .
C85 C53 H53 105.6 . .
C55 C54 C53 121.6(2) . .
C55 C54 H54 119.2 . .
C53 C54 H54 119.2 . .
C54 C55 C51 117.8(2) . .
C54 C55 C56 136.1(2) . .
C51 C55 C56 105.5(2) . .
C45 C56 N4 120.8(2) . .
C45 C56 C55 107.7(2) . .
N4 C56 C55 131.4(2) . .
C45 C56 Li4 70.5(2) . .
N4 C56 Li4 72.2(2) . .
C55 C56 Li4 130.5(2) . .
C45 C56 Li3 76.07(17) . .
N4 C56 Li3 49.12(15) . .
C55 C56 Li3 157.93(19) . .
Li4 C56 Li3 71.54(19) . .
C58 C57 C62 118.6(2) . .
C58 C57 N3 119.2(2) . .
C62 C57 N3 121.9(2) . .
C58 C57 Li1 79.6(2) . .
C62 C57 Li1 135.9(2) . .
N3 C57 Li1 53.03(19) . .
C59 C58 C57 119.8(3) . .
C59 C58 C63 118.0(2) . .
C57 C58 C63 122.0(2) . .
C59 C58 Li1 135.7(2) . .
C57 C58 Li1 68.33(18) . .
C63 C58 Li1 73.3(2) . .
C60 C59 C58 121.2(3) . .
C60 C59 H59 119.4 . .
C58 C59 H59 119.4 . .
C59 C60 C61 119.0(3) . .
C59 C60 H60 120.5 . .
C61 C60 H60 120.5 . .
C62 C61 C60 122.4(3) . .
C62 C61 H61 118.8 . .
C60 C61 H61 118.8 . .
C61 C62 C57 118.6(3) . .
C61 C62 C66 117.9(2) . .
C57 C62 C66 123.5(2) . .
C58 C63 C64 114.3(2) . .
C58 C63 C65 110.7(3) . .
C64 C63 C65 108.9(2) . .
C58 C63 Li1 73.1(2) . .
C64 C63 Li1 80.1(2) . .
C65 C63 Li1 166.3(3) . .
C58 C63 H63 107.6 . .
C64 C63 H63 107.6 . .
C65 C63 H63 107.6 . .
Li1 C63 H63 59.2 . .
C63 C64 H64A 109.5 . .
C63 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C63 C65 H65A 109.5 . .
C63 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C63 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C62 C66 C68 113.0(2) . .
C62 C66 C67 111.0(2) . .
C68 C66 C67 109.1(2) . .
C62 C66 H66 107.8 . .
C68 C66 H66 107.8 . .
C67 C66 H66 107.8 . .
C66 C67 H67A 109.5 . .
C66 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C66 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C66 C68 H68A 109.5 . .
C66 C68 H68B 109.5 . .
H68A C68 H68B 109.5 . .
C66 C68 H68C 109.5 . .
H68A C68 H68C 109.5 . .
H68B C68 H68C 109.5 . .
C70 C69 C74 119.1(2) . .
C70 C69 N4 121.1(2) . .
C74 C69 N4 119.7(2) . .
C71 C70 C69 119.1(3) . .
C71 C70 C75 119.1(3) . .
C69 C70 C75 121.8(2) . .
C72 C71 C70 121.7(3) . .
C72 C71 H71 119.1 . .
C70 C71 H71 119.1 . .
C73 C72 C71 119.3(3) . .
C73 C72 H72 120.4 . .
C71 C72 H72 120.4 . .
C72 C73 C74 121.6(3) . .
C72 C73 H73 119.2 . .
C74 C73 H73 119.2 . .
C73 C74 C69 119.1(3) . .
C73 C74 C78 118.4(3) . .
C69 C74 C78 122.5(2) . .
C77 C75 C70 110.3(3) . .
C77 C75 C76 109.2(3) . .
C70 C75 C76 112.9(3) . .
C77 C75 H75 108.1 . .
C70 C75 H75 108.1 . .
C76 C75 H75 108.1 . .
C75 C76 H76A 109.5 . .
C75 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C75 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C75 C77 H77A 109.5 . .
C75 C77 H77B 109.5 . .
H77A C77 H77B 109.5 . .
C75 C77 H77C 109.5 . .
H77A C77 H77C 109.5 . .
H77B C77 H77C 109.5 . .
C74 C78 C80 111.1(2) . .
C74 C78 C79 112.8(3) . .
C80 C78 C79 110.2(2) . .
C74 C78 H78 107.5 . .
C80 C78 H78 107.5 . .
C79 C78 H78 107.5 . .
C78 C79 H79A 109.5 . .
C78 C79 H79B 109.5 . .
H79A C79 H79B 109.5 . .
C78 C79 H79C 109.5 . .
H79A C79 H79C 109.5 . .
H79B C79 H79C 109.5 . .
C78 C80 H80A 109.5 . .
C78 C80 H80B 109.5 . .
H80A C80 H80B 109.5 . .
C78 C80 H80C 109.5 . .
H80A C80 H80C 109.5 . .
H80B C80 H80C 109.5 . .
C82 C81 C84 108.8(3) . .
C82 C81 C83 108.8(3) . .
C84 C81 C83 106.7(3) . .
C82 C81 C52 112.3(2) . .
C84 C81 C52 110.3(3) . .
C83 C81 C52 109.8(3) . .
C81 C82 H82A 109.5 . .
C81 C82 H82B 109.5 . .
H82A C82 H82B 109.5 . .
C81 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.5 . .
C81 C83 H83A 109.5 . .
C81 C83 H83B 109.5 . .
H83A C83 H83B 109.5 . .
C81 C83 H83C 109.5 . .
H83A C83 H83C 109.5 . .
H83B C83 H83C 109.5 . .
C81 C84 H84A 109.5 . .
C81 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C81 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
C88 C85 C87 109.2(3) . .
C88 C85 C86 109.4(3) . .
C87 C85 C86 106.6(2) . .
C88 C85 C53 112.0(2) . .
C87 C85 C53 109.0(2) . .
C86 C85 C53 110.4(2) . .
C85 C86 H86A 109.5 . .
C85 C86 H86B 109.5 . .
H86A C86 H86B 109.5 . .
C85 C86 H86C 109.5 . .
H86A C86 H86C 109.5 . .
H86B C86 H86C 109.5 . .
C85 C87 H87A 109.5 . .
C85 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
C85 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
C85 C88 H88A 109.5 . .
C85 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C85 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
C1 N1 C13 115.3(2) . .
C1 N1 Li4 128.5(3) . .
C13 N1 Li4 108.9(2) . .
C1 N1 Li2 97.91(19) . .
C13 N1 Li2 127.6(2) . .
Li4 N1 Li2 73.5(2) . .
C12 N2 C25 113.34(19) . .
C12 N2 Li3 140.3(2) . .
C25 N2 Li3 104.80(19) . .
C12 N2 Li1 73.8(2) . .
C25 N2 Li1 135.2(3) . .
Li3 N2 Li1 71.5(2) . .
C12 N2 Li2 95.70(18) . .
C25 N2 Li2 121.49(19) . .
Li3 N2 Li2 72.50(19) . .
Li1 N2 Li2 100.5(2) . .
C45 N3 C57 116.5(2) . .
C45 N3 Li1 150.9(3) . .
C57 N3 Li1 92.0(2) . .
C45 N3 Li3 97.28(19) . .
C57 N3 Li3 119.1(2) . .
Li1 N3 Li3 71.6(2) . .
C45 N3 Li4 68.82(19) . .
C57 N3 Li4 155.8(2) . .
Li1 N3 Li4 82.8(3) . .
Li3 N3 Li4 81.7(2) . .
C56 N4 C69 115.84(19) . .
C56 N4 Li3 99.10(19) . .
C69 N4 Li3 125.7(2) . .
C56 N4 Li2 138.1(2) . .
C69 N4 Li2 101.17(18) . .
Li3 N4 Li2 72.08(18) . .
C56 N4 Li4 71.01(19) . .
C69 N4 Li4 144.4(3) . .
Li3 N4 Li4 84.3(2) . .
Li2 N4 Li4 67.40(19) . .
N3 Li1 N2 108.4(3) . .
N3 Li1 C12 138.7(3) . .
N2 Li1 C12 39.46(13) . .
N3 Li1 Li3 56.20(18) . .
N2 Li1 Li3 53.56(17) . .
C12 Li1 Li3 91.3(2) . .
N3 Li1 C57 34.99(12) . .
N2 Li1 C57 128.8(3) . .
C12 Li1 C57 168.3(3) . .
Li3 Li1 C57 77.5(2) . .
N3 Li1 C1 122.3(3) . .
N2 Li1 C1 64.49(18) . .
C12 Li1 C1 33.80(13) . .
Li3 Li1 C1 102.6(2) . .
C57 Li1 C1 151.9(3) . .
N3 Li1 C63 77.72(19) . .
N2 Li1 C63 170.5(3) . .
C12 Li1 C63 131.4(3) . .
Li3 Li1 C63 133.7(2) . .
C57 Li1 C63 60.24(15) . .
C1 Li1 C63 106.2(3) . .
N3 Li1 C58 62.39(16) . .
N2 Li1 C58 155.8(3) . .
C12 Li1 C58 158.2(3) . .
Li3 Li1 C58 109.3(2) . .
C57 Li1 C58 32.05(11) . .
C1 Li1 C58 139.7(3) . .
C63 Li1 C58 33.58(11) . .
N3 Li1 Li4 52.8(2) . .
N2 Li1 Li4 86.9(3) . .
C12 Li1 Li4 92.9(3) . .
Li3 Li1 Li4 65.8(2) . .
C57 Li1 Li4 85.5(2) . .
C1 Li1 Li4 69.5(2) . .
C63 Li1 Li4 91.4(2) . .
C58 Li1 Li4 101.8(2) . .
N3 Li1 Li2 83.4(2) . .
N2 Li1 Li2 40.20(15) . .
C12 Li1 Li2 55.35(17) . .
Li3 Li1 Li2 49.21(17) . .
C57 Li1 Li2 117.0(2) . .
C1 Li1 Li2 53.79(15) . .
C63 Li1 Li2 136.5(3) . .
C58 Li1 Li2 145.0(2) . .
Li4 Li1 Li2 46.94(18) . .
N1 Li2 N2 88.73(18) . .
N1 Li2 N4 109.5(2) . .
N2 Li2 N4 104.0(2) . .
N1 Li2 Li4 51.36(17) . .
N2 Li2 Li4 97.3(2) . .
N4 Li2 Li4 58.22(18) . .
N1 Li2 Li3 105.7(2) . .
N2 Li2 Li3 52.35(15) . .
N4 Li2 Li3 51.68(15) . .
Li4 Li2 Li3 71.8(2) . .
N1 Li2 C1 31.46(10) . .
N2 Li2 C1 61.23(13) . .
N4 Li2 C1 127.8(2) . .
Li4 Li2 C1 73.61(19) . .
Li3 Li2 C1 97.10(18) . .
N1 Li2 C12 61.25(13) . .
N2 Li2 C12 32.34(10) . .
N4 Li2 C12 127.0(2) . .
Li4 Li2 C12 91.3(2) . .
Li3 Li2 C12 79.28(17) . .
C1 Li2 C12 30.54(9) . .
N1 Li2 C35 137.8(2) . .
N2 Li2 C35 91.45(18) . .
N4 Li2 C35 111.37(19) . .
Li4 Li2 C35 167.8(3) . .
Li3 Li2 C35 107.6(2) . .
C1 Li2 C35 118.29(18) . .
C12 Li2 C35 100.56(17) . .
N1 Li2 Li1 61.98(17) . .
N2 Li2 Li1 39.32(15) . .
N4 Li2 Li1 86.04(17) . .
Li4 Li2 Li1 58.2(2) . .
Li3 Li2 Li1 47.80(17) . .
C1 Li2 Li1 49.70(14) . .
C12 Li2 Li1 41.94(12) . .
C35 Li2 Li1 130.7(2) . .
N1 Li2 H35B 156.2 . .
N2 Li2 H35B 91.5 . .
N4 Li2 H35B 93.6 . .
Li4 Li2 H35B 151.7 . .
Li3 Li2 H35B 93.2 . .
C1 Li2 H35B 133.3 . .
C12 Li2 H35B 109.7 . .
C35 Li2 H35B 18.4 . .
Li1 Li2 H35B 127.9 . .
N4 Li3 N2 111.4(2) . .
N4 Li3 N3 88.16(18) . .
N2 Li3 N3 105.8(2) . .
N4 Li3 Li1 115.2(3) . .
N2 Li3 Li1 54.95(17) . .
N3 Li3 Li1 52.17(17) . .
N4 Li3 Li2 56.24(16) . .
N2 Li3 Li2 55.15(16) . .
N3 Li3 Li2 103.5(2) . .
Li1 Li3 Li2 83.0(2) . .
N4 Li3 C56 31.78(10) . .
N2 Li3 C56 131.7(2) . .
N3 Li3 C56 61.13(13) . .
Li1 Li3 C56 104.4(2) . .
Li2 Li3 C56 81.48(17) . .
N4 Li3 C45 60.77(13) . .
N2 Li3 C45 128.0(2) . .
N3 Li3 C45 31.51(10) . .
Li1 Li3 C45 81.0(2) . .
Li2 Li3 C45 97.73(19) . .
C56 Li3 C45 30.50(9) . .
N4 Li3 C25 123.4(2) . .
N2 Li3 C25 30.09(9) . .
N3 Li3 C25 129.3(2) . .
Li1 Li3 C25 77.54(19) . .
Li2 Li3 C25 72.80(16) . .
C56 Li3 C25 153.8(2) . .
C45 Li3 C25 157.36(19) . .
N4 Li3 Li4 51.11(18) . .
N2 Li3 Li4 86.68(19) . .
N3 Li3 Li4 51.70(18) . .
Li1 Li3 Li4 64.4(3) . .
Li2 Li3 Li4 53.80(19) . .
C56 Li3 Li4 47.47(15) . .
C45 Li3 Li4 46.61(14) . .
C25 Li3 Li4 115.81(19) . .
N1 Li4 C45 152.0(4) . .
N1 Li4 C56 146.1(3) . .
C45 Li4 C56 36.85(13) . .
N1 Li4 N4 109.4(3) . .
C45 Li4 N4 66.72(18) . .
C56 Li4 N4 36.77(12) . .
N1 Li4 N3 115.9(3) . .
C45 Li4 N3 36.71(13) . .
C56 Li4 N3 66.20(18) . .
N4 Li4 N3 79.0(2) . .
N1 Li4 Li2 55.12(18) . .
C45 Li4 Li2 113.0(3) . .
C56 Li4 Li2 91.0(2) . .
N4 Li4 Li2 54.38(18) . .
N3 Li4 Li2 99.2(2) . .
N1 Li4 C19 78.7(2) . .
C45 Li4 C19 115.6(3) . .
C56 Li4 C19 132.8(3) . .
N4 Li4 C19 158.5(3) . .
N3 Li4 C19 116.3(3) . .
Li2 Li4 C19 131.1(3) . .
N1 Li4 C13 29.05(12) . .
C45 Li4 C13 171.6(3) . .
C56 Li4 C13 150.6(4) . .
N4 Li4 C13 121.7(3) . .
N3 Li4 C13 140.2(3) . .
Li2 Li4 C13 74.20(19) . .
C19 Li4 C13 56.93(14) . .
N1 Li4 Li1 71.5(2) . .
C45 Li4 Li1 81.0(3) . .
C56 Li4 Li1 103.4(3) . .
N4 Li4 Li1 94.3(2) . .
N3 Li4 Li1 44.42(18) . .
Li2 Li4 Li1 74.9(2) . .
C19 Li4 Li1 107.3(3) . .
C13 Li4 Li1 97.2(2) . .
N1 Li4 Li3 94.9(2) . .
C45 Li4 Li3 62.14(18) . .
C56 Li4 Li3 61.00(17) . .
N4 Li4 Li3 44.62(15) . .
N3 Li4 Li3 46.55(15) . .
Li2 Li4 Li3 54.42(18) . .
C19 Li4 Li3 156.7(3) . .
C13 Li4 Li3 122.7(2) . .
Li1 Li4 Li3 49.84(18) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.402(3) .
C1 C12 1.401(3) .
C1 C2 1.483(3) .
C1 Li1 2.514(7) .
C1 Li2 2.660(5) .
C2 C3 1.391(3) .
C2 C7 1.406(3) .
C1A C2A 1.385(5) .
C1A C3A 1.384(5) 2_766
C1A H1A 1.02(4) .
C3A C2A 1.376(5) .
C3A C1A 1.384(5) 2_766
C3A H3A 0.98(4) .
C2A H2A 1.03(4) .
C3 C4 1.405(4) .
C3 H3 0.9500 .
C4 C5 1.394(4) .
C4 H4 0.9500 .
C4A C6A 1.375(7) 2_765
C4A C5A 1.378(7) .
C4A H4A 0.95(5) .
C5 C6 1.400(4) .
C5 H5 0.9500 .
C6A C4A 1.375(7) 2_765
C6A C5A 1.375(6) .
C6A H6A 0.92(5) .
C6 C7 1.377(3) .
C6 C8 1.529(4) .
C5A H5A 0.97(6) .
C7 C11 1.466(3) .
C8 C9 1.572(4) .
C8 C37 1.574(4) .
C8 H8 1.0000 .
C9 C10 1.525(3) .
C9 C41 1.572(4) .
C9 H9 1.0000 .
C10 C11 1.347(3) .
C10 H10 0.9500 .
C11 C12 1.478(3) .
C12 N2 1.430(3) .
C12 Li1 2.160(6) .
C12 Li2 2.659(5) .
C13 C14 1.420(4) .
C13 C18 1.425(4) .
C13 N1 1.433(3) .
C13 Li4 2.792(6) .
C14 C15 1.394(4) .
C14 C19 1.526(4) .
C15 C16 1.372(5) .
C15 H15 0.9500 .
C16 C17 1.385(5) .
C16 H16 0.9500 .
C17 C18 1.389(4) .
C17 H17 0.9500 .
C18 C22 1.528(4) .
C19 C21 1.525(4) .
C19 C20 1.539(4) .
C19 Li4 2.604(6) .
C19 H19 1.0000 .
C20 H20A 0.9800 .
C20 H20B 0.9800 .
C20 H20C 0.9800 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.535(4) .
C22 C24 1.539(5) .
C22 H22 1.0000 .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C25 C30 1.421(4) .
C25 C26 1.417(4) .
C25 N2 1.436(3) .
C25 Li3 2.770(5) .
C26 C27 1.400(4) .
C26 C31 1.530(4) .
C27 C28 1.381(4) .
C27 H27 0.9500 .
C28 C29 1.379(4) .
C28 H28 0.9500 .
C29 C30 1.393(4) .
C29 H29 0.9500 .
C30 C34 1.522(4) .
C31 C33 1.533(4) .
C31 C32 1.541(4) .
C31 H31 1.0000 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 H33A 0.9800 .
C33 H33B 0.9800 .
C33 H33C 0.9800 .
C34 C36 1.534(4) .
C34 C35 1.540(4) .
C34 H34 1.0000 .
C35 Li2 2.750(5) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C41 C44 1.525(5) .
C41 C43 1.541(4) .
C41 C42 1.542(4) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C37 C38 1.530(4) .
C37 C39 1.537(4) .
C37 C40 1.542(4) .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C45 C56 1.394(3) .
C45 N3 1.405(3) .
C45 C46 1.477(3) .
C45 Li4 2.192(6) .
C45 Li3 2.667(5) .
C46 C47 1.391(4) .
C46 C51 1.401(3) .
C47 C48 1.409(4) .
C47 H47 0.9500 .
C48 C49 1.385(4) .
C48 H48 0.9500 .
C49 C50 1.407(4) .
C49 H49 0.9500 .
C50 C51 1.376(3) .
C50 C52 1.520(4) .
C51 C55 1.470(4) .
C52 C53 1.566(4) .
C52 C81 1.571(4) .
C52 H52 1.0000 .
C53 C54 1.524(4) .
C53 C85 1.571(4) .
C53 H53 1.0000 .
C54 C55 1.347(4) .
C54 H54 0.9500 .
C55 C56 1.483(3) .
C56 N4 1.405(3) .
C56 Li4 2.219(6) .
C56 Li3 2.634(5) .
C57 C58 1.422(4) .
C57 C62 1.428(4) .
C57 N3 1.429(3) .
C57 Li1 2.491(6) .
C58 C59 1.399(4) .
C58 C63 1.524(4) .
C58 Li1 2.637(6) .
C59 C60 1.378(4) .
C59 H59 0.9500 .
C60 C61 1.391(4) .
C60 H60 0.9500 .
C61 C62 1.390(4) .
C61 H61 0.9500 .
C62 C66 1.530(4) .
C63 C64 1.525(4) .
C63 C65 1.542(4) .
C63 Li1 2.639(6) .
C63 H63 1.0000 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C65 H65A 0.9800 .
C65 H65B 0.9800 .
C65 H65C 0.9800 .
C66 C68 1.536(4) .
C66 C67 1.540(4) .
C66 H66 1.0000 .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
C68 H68A 0.9800 .
C68 H68B 0.9800 .
C68 H68C 0.9800 .
C69 C70 1.411(4) .
C69 C74 1.416(4) .
C69 N4 1.447(3) .
C70 C71 1.394(4) .
C70 C75 1.525(4) .
C71 C72 1.380(4) .
C71 H71 0.9500 .
C72 C73 1.371(5) .
C72 H72 0.9500 .
C73 C74 1.399(4) .
C73 H73 0.9500 .
C74 C78 1.524(4) .
C75 C77 1.502(5) .
C75 C76 1.556(5) .
C75 H75 1.0000 .
C76 H76A 0.9800 .
C76 H76B 0.9800 .
C76 H76C 0.9800 .
C77 H77A 0.9800 .
C77 H77B 0.9800 .
C77 H77C 0.9800 .
C78 C80 1.534(4) .
C78 C79 1.530(4) .
C78 H78 1.0000 .
C79 H79A 0.9800 .
C79 H79B 0.9800 .
C79 H79C 0.9800 .
C80 H80A 0.9800 .
C80 H80B 0.9800 .
C80 H80C 0.9800 .
C81 C82 1.513(5) .
C81 C84 1.536(5) .
C81 C83 1.535(5) .
C82 H82A 0.9800 .
C82 H82B 0.9800 .
C82 H82C 0.9800 .
C83 H83A 0.9800 .
C83 H83B 0.9800 .
C83 H83C 0.9800 .
C84 H84A 0.9800 .
C84 H84B 0.9800 .
C84 H84C 0.9800 .
C85 C88 1.530(5) .
C85 C87 1.540(4) .
C85 C86 1.543(4) .
C86 H86A 0.9800 .
C86 H86B 0.9800 .
C86 H86C 0.9800 .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
N1 Li4 1.977(6) .
N1 Li2 2.076(5) .
N2 Li3 2.030(5) .
N2 Li1 2.066(6) .
N2 Li2 2.104(5) .
N3 Li1 1.991(6) .
N3 Li3 2.095(5) .
N3 Li4 2.265(7) .
N4 Li3 2.016(5) .
N4 Li2 2.137(5) .
N4 Li4 2.234(6) .
Li1 Li3 2.393(7) .
Li1 Li4 2.823(10) .
Li1 Li2 3.206(7) .
Li2 Li4 2.427(7) .
Li2 Li3 2.446(6) .
Li2 H35B 2.1532 .
Li3 Li4 2.856(7) .
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
N1 C1 C2 C3 4.0(5) .
C12 C1 C2 C3 -176.4(3) .
Li1 C1 C2 C3 -111.9(3) .
Li2 C1 C2 C3 82.4(8) .
N1 C1 C2 C7 -175.6(2) .
C12 C1 C2 C7 4.1(3) .
Li1 C1 C2 C7 68.6(3) .
Li2 C1 C2 C7 -97.2(7) .
C1A C3A C2A C1A -1.1(6) 2_766
C3A C1A C2A C3A 1.1(6) 2_766
C7 C2 C3 C4 2.6(4) .
C1 C2 C3 C4 -177.0(3) .
C2 C3 C4 C5 -1.4(4) .
C3 C4 C5 C6 -2.1(4) .
C4 C5 C6 C7 4.1(4) .
C4 C5 C6 C8 -175.1(3) .
C4A C6A C5A C4A -1.0(8) 2_765
C6A C4A C5A C6A 1.0(8) 2_765
C5 C6 C7 C2 -3.0(4) .
C8 C6 C7 C2 176.3(2) .
C5 C6 C7 C11 177.0(2) .
C8 C6 C7 C11 -3.7(4) .
C3 C2 C7 C6 -0.4(4) .
C1 C2 C7 C6 179.3(2) .
C3 C2 C7 C11 179.6(2) .
C1 C2 C7 C11 -0.7(3) .
C7 C6 C8 C9 23.6(3) .
C5 C6 C8 C9 -157.2(3) .
C7 C6 C8 C37 -104.7(3) .
C5 C6 C8 C37 74.5(3) .
C6 C8 C9 C10 -31.7(3) .
C37 C8 C9 C10 96.6(3) .
C6 C8 C9 C41 97.3(3) .
C37 C8 C9 C41 -134.3(2) .
C8 C9 C10 C11 22.4(4) .
C41 C9 C10 C11 -107.9(3) .
C9 C10 C11 C7 -1.7(4) .
C9 C10 C11 C12 169.8(3) .
C6 C7 C11 C10 -8.7(4) .
C2 C7 C11 C10 171.3(2) .
C6 C7 C11 C12 177.3(2) .
C2 C7 C11 C12 -2.7(3) .
N1 C1 C12 N2 -7.5(4) .
C2 C1 C12 N2 172.9(2) .
Li1 C1 C12 N2 60.2(2) .
Li2 C1 C12 N2 -23.1(2) .
N1 C1 C12 C11 173.9(2) .
C2 C1 C12 C11 -5.8(3) .
Li1 C1 C12 C11 -118.5(2) .
Li2 C1 C12 C11 158.3(2) .
N1 C1 C12 Li1 -67.7(3) .
C2 C1 C12 Li1 112.7(2) .
Li2 C1 C12 Li1 -83.23(19) .
N1 C1 C12 Li2 15.6(2) .
C2 C1 C12 Li2 -164.1(2) .
Li1 C1 C12 Li2 83.23(19) .
C10 C11 C12 C1 -167.1(3) .
C7 C11 C12 C1 5.2(3) .
C10 C11 C12 N2 14.4(5) .
C7 C11 C12 N2 -173.3(2) .
C10 C11 C12 Li1 96.2(4) .
C7 C11 C12 Li1 -91.5(3) .
C10 C11 C12 Li2 -71.5(7) .
C7 C11 C12 Li2 100.8(5) .
C18 C13 C14 C15 3.1(4) .
N1 C13 C14 C15 -174.5(3) .
Li4 C13 C14 C15 -152.5(3) .
C18 C13 C14 C19 -174.1(2) .
N1 C13 C14 C19 8.3(4) .
Li4 C13 C14 C19 30.3(3) .
C13 C14 C15 C16 -2.4(5) .
C19 C14 C15 C16 175.0(3) .
C14 C15 C16 C17 -0.1(5) .
C15 C16 C17 C18 1.7(5) .
C16 C17 C18 C13 -0.9(4) .
C16 C17 C18 C22 178.4(3) .
C14 C13 C18 C17 -1.5(4) .
N1 C13 C18 C17 176.0(2) .
Li4 C13 C18 C17 127.0(4) .
C14 C13 C18 C22 179.3(3) .
N1 C13 C18 C22 -3.2(4) .
Li4 C13 C18 C22 -52.2(5) .
C15 C14 C19 C21 69.1(4) .
C13 C14 C19 C21 -113.7(3) .
C15 C14 C19 C20 -56.0(4) .
C13 C14 C19 C20 121.3(3) .
C15 C14 C19 Li4 150.2(3) .
C13 C14 C19 Li4 -32.5(3) .
C17 C18 C22 C23 -57.8(4) .
C13 C18 C22 C23 121.4(3) .
C17 C18 C22 C24 65.0(4) .
C13 C18 C22 C24 -115.8(3) .
C30 C25 C26 C27 2.6(4) .
N2 C25 C26 C27 -179.9(2) .
Li3 C25 C26 C27 142.3(2) .
C30 C25 C26 C31 -178.5(2) .
N2 C25 C26 C31 -0.9(3) .
Li3 C25 C26 C31 -38.7(2) .
C25 C26 C27 C28 0.0(4) .
C31 C26 C27 C28 -179.0(2) .
C26 C27 C28 C29 -2.2(4) .
C27 C28 C29 C30 1.7(4) .
C28 C29 C30 C25 0.9(4) .
C28 C29 C30 C34 -176.4(2) .
C26 C25 C30 C29 -3.0(4) .
N2 C25 C30 C29 179.4(2) .
Li3 C25 C30 C29 -125.9(3) .
C26 C25 C30 C34 174.3(2) .
N2 C25 C30 C34 -3.3(3) .
Li3 C25 C30 C34 51.4(3) .
C27 C26 C31 C33 -19.1(3) .
C25 C26 C31 C33 161.9(2) .
C27 C26 C31 C32 105.0(3) .
C25 C26 C31 C32 -73.9(3) .
C29 C30 C34 C36 -33.1(4) .
C25 C30 C34 C36 149.7(2) .
C29 C30 C34 C35 90.3(3) .
C25 C30 C34 C35 -87.0(3) .
C30 C34 C35 Li2 87.2(2) .
C36 C34 C35 Li2 -146.4(2) .
C10 C9 C41 C44 71.5(3) .
C8 C9 C41 C44 -59.7(3) .
C10 C9 C41 C43 -49.5(3) .
C8 C9 C41 C43 179.3(2) .
C10 C9 C41 C42 -166.3(2) .
C8 C9 C41 C42 62.5(3) .
C6 C8 C37 C38 70.5(3) .
C9 C8 C37 C38 -57.7(3) .
C6 C8 C37 C39 -50.9(3) .
C9 C8 C37 C39 -179.0(2) .
C6 C8 C37 C40 -168.1(2) .
C9 C8 C37 C40 63.7(3) .
C56 C45 C46 C47 -175.7(3) .
N3 C45 C46 C47 3.6(5) .
Li4 C45 C46 C47 -93.7(4) .
Li3 C45 C46 C47 85.2(8) .
C56 C45 C46 C51 4.0(3) .
N3 C45 C46 C51 -176.7(2) .
Li4 C45 C46 C51 86.0(3) .
Li3 C45 C46 C51 -95.1(7) .
C51 C46 C47 C48 1.2(4) .
C45 C46 C47 C48 -179.1(3) .
C46 C47 C48 C49 -0.5(4) .
C47 C48 C49 C50 -1.7(4) .
C48 C49 C50 C51 3.0(4) .
C48 C49 C50 C52 -174.9(3) .
C49 C50 C51 C46 -2.3(4) .
C52 C50 C51 C46 175.8(2) .
C49 C50 C51 C55 178.0(2) .
C52 C50 C51 C55 -4.0(4) .
C47 C46 C51 C50 0.2(4) .
C45 C46 C51 C50 -179.6(2) .
C47 C46 C51 C55 179.9(2) .
C45 C46 C51 C55 0.2(3) .
C51 C50 C52 C53 28.6(3) .
C49 C50 C52 C53 -153.6(3) .
C51 C50 C52 C81 -100.2(3) .
C49 C50 C52 C81 77.6(4) .
C50 C52 C53 C54 -38.6(3) .
C81 C52 C53 C54 89.4(3) .
C50 C52 C53 C85 90.3(3) .
C81 C52 C53 C85 -141.7(2) .
C52 C53 C54 C55 26.1(4) .
C85 C53 C54 C55 -104.3(3) .
C53 C54 C55 C51 -0.8(4) .
C53 C54 C55 C56 168.7(3) .
C50 C51 C55 C54 -11.7(4) .
C46 C51 C55 C54 168.5(2) .
C50 C51 C55 C56 175.8(2) .
C46 C51 C55 C56 -3.9(3) .
N3 C45 C56 N4 -4.2(4) .
C46 C45 C56 N4 175.1(2) .
Li4 C45 C56 N4 54.0(3) .
Li3 C45 C56 N4 -21.1(2) .
N3 C45 C56 C55 174.2(2) .
C46 C45 C56 C55 -6.5(3) .
Li4 C45 C56 C55 -127.6(2) .
Li3 C45 C56 C55 157.4(2) .
N3 C45 C56 Li4 -58.2(3) .
C46 C45 C56 Li4 121.1(2) .
Li3 C45 C56 Li4 -75.03(19) .
N3 C45 C56 Li3 16.8(2) .
C46 C45 C56 Li3 -163.8(2) .
Li4 C45 C56 Li3 75.03(19) .
C54 C55 C56 C45 -164.0(3) .
C51 C55 C56 C45 6.3(3) .
C54 C55 C56 N4 14.2(5) .
C51 C55 C56 N4 -175.4(2) .
C54 C55 C56 Li4 116.8(4) .
C51 C55 C56 Li4 -72.9(4) .
C54 C55 C56 Li3 -67.3(7) .
C51 C55 C56 Li3 103.0(5) .
C62 C57 C58 C59 5.7(4) .
N3 C57 C58 C59 -167.9(2) .
Li1 C57 C58 C59 -131.3(3) .
C62 C57 C58 C63 -170.8(2) .
N3 C57 C58 C63 15.6(4) .
Li1 C57 C58 C63 52.2(3) .
C62 C57 C58 Li1 137.0(3) .
N3 C57 C58 Li1 -36.6(3) .
C57 C58 C59 C60 -1.9(4) .
C63 C58 C59 C60 174.7(3) .
Li1 C58 C59 C60 -90.7(4) .
C58 C59 C60 C61 -2.5(4) .
C59 C60 C61 C62 3.1(5) .
C60 C61 C62 C57 0.8(4) .
C60 C61 C62 C66 -178.5(3) .
C58 C57 C62 C61 -5.1(4) .
N3 C57 C62 C61 168.3(2) .
Li1 C57 C62 C61 100.4(4) .
C58 C57 C62 C66 174.1(2) .
N3 C57 C62 C66 -12.5(4) .
Li1 C57 C62 C66 -80.4(4) .
C59 C58 C63 C64 62.9(3) .
C57 C58 C63 C64 -120.5(3) .
Li1 C58 C63 C64 -70.5(3) .
C59 C58 C63 C65 -60.5(3) .
C57 C58 C63 C65 116.1(3) .
Li1 C58 C63 C65 166.1(3) .
C59 C58 C63 Li1 133.4(3) .
C57 C58 C63 Li1 -50.0(3) .
C61 C62 C66 C68 -59.8(3) .
C57 C62 C66 C68 121.0(3) .
C61 C62 C66 C67 63.2(3) .
C57 C62 C66 C67 -116.0(3) .
C74 C69 C70 C71 -3.5(4) .
N4 C69 C70 C71 172.9(2) .
C74 C69 C70 C75 174.6(3) .
N4 C69 C70 C75 -9.0(4) .
C69 C70 C71 C72 0.9(4) .
C75 C70 C71 C72 -177.3(3) .
C70 C71 C72 C73 1.5(5) .
C71 C72 C73 C74 -1.1(5) .
C72 C73 C74 C69 -1.6(4) .
C72 C73 C74 C78 178.2(3) .
C70 C69 C74 C73 3.8(4) .
N4 C69 C74 C73 -172.6(2) .
C70 C69 C74 C78 -175.9(3) .
N4 C69 C74 C78 7.6(4) .
C71 C70 C75 C77 -81.4(3) .
C69 C70 C75 C77 100.5(3) .
C71 C70 C75 C76 41.0(4) .
C69 C70 C75 C76 -137.1(3) .
C73 C74 C78 C80 -57.8(4) .
C69 C74 C78 C80 121.9(3) .
C73 C74 C78 C79 66.5(3) .
C69 C74 C78 C79 -113.8(3) .
C50 C52 C81 C82 58.8(4) .
C53 C52 C81 C82 -69.0(3) .
C50 C52 C81 C84 -179.6(3) .
C53 C52 C81 C84 52.5(3) .
C50 C52 C81 C83 -62.3(3) .
C53 C52 C81 C83 169.8(3) .
C54 C53 C85 C88 66.4(3) .
C52 C53 C85 C88 -64.1(3) .
C54 C53 C85 C87 -54.6(3) .
C52 C53 C85 C87 174.9(2) .
C54 C53 C85 C86 -171.4(2) .
C52 C53 C85 C86 58.1(3) .
C12 C1 N1 C13 -157.9(2) .
C2 C1 N1 C13 21.7(4) .
Li1 C1 N1 C13 149.6(2) .
Li2 C1 N1 C13 -138.3(3) .
C12 C1 N1 Li4 55.6(4) .
C2 C1 N1 Li4 -124.8(3) .
Li1 C1 N1 Li4 3.1(3) .
Li2 C1 N1 Li4 75.2(3) .
C12 C1 N1 Li2 -19.6(3) .
C2 C1 N1 Li2 160.0(2) .
Li1 C1 N1 Li2 -72.1(2) .
C14 C13 N1 C1 -119.1(3) .
C18 C13 N1 C1 63.4(3) .
Li4 C13 N1 C1 -152.8(3) .
C14 C13 N1 Li4 33.7(3) .
C18 C13 N1 Li4 -143.8(3) .
C14 C13 N1 Li2 117.1(3) .
C18 C13 N1 Li2 -60.4(3) .
Li4 C13 N1 Li2 83.4(3) .
C1 C12 N2 C25 156.6(2) .
C11 C12 N2 C25 -25.1(3) .
Li1 C12 N2 C25 -132.8(3) .
Li2 C12 N2 C25 127.9(2) .
C1 C12 N2 Li3 -40.7(4) .
C11 C12 N2 Li3 137.7(3) .
Li1 C12 N2 Li3 29.9(4) .
Li2 C12 N2 Li3 -69.3(3) .
C1 C12 N2 Li1 -70.6(3) .
C11 C12 N2 Li1 107.7(3) .
Li2 C12 N2 Li1 -99.3(3) .
C1 C12 N2 Li2 28.7(3) .
C11 C12 N2 Li2 -153.0(3) .
Li1 C12 N2 Li2 99.3(3) .
C30 C25 N2 C12 -73.5(3) .
C26 C25 N2 C12 109.0(2) .
Li3 C25 N2 C12 168.7(3) .
C30 C25 N2 Li3 117.8(2) .
C26 C25 N2 Li3 -59.7(3) .
C30 C25 N2 Li1 -163.7(3) .
C26 C25 N2 Li1 18.7(4) .
Li3 C25 N2 Li1 78.5(3) .
C30 C25 N2 Li2 39.5(3) .
C26 C25 N2 Li2 -138.0(2) .
Li3 C25 N2 Li2 -78.3(2) .
C56 C45 N3 C57 -148.5(2) .
C46 C45 N3 C57 32.3(4) .
Li4 C45 N3 C57 154.2(3) .
Li3 C45 N3 C57 -127.7(3) .
C56 C45 N3 Li1 44.1(6) .
C46 C45 N3 Li1 -135.1(5) .
Li4 C45 N3 Li1 -13.3(5) .
Li3 C45 N3 Li1 64.9(5) .
C56 C45 N3 Li3 -20.8(3) .
C46 C45 N3 Li3 159.9(3) .
Li4 C45 N3 Li3 -78.2(2) .
C56 C45 N3 Li4 57.3(3) .
C46 C45 N3 Li4 -121.9(3) .
Li3 C45 N3 Li4 78.2(2) .
C58 C57 N3 C45 -126.7(2) .
C62 C57 N3 C45 59.9(3) .
Li1 C57 N3 C45 -173.9(3) .
C58 C57 N3 Li1 47.2(3) .
C62 C57 N3 Li1 -126.2(3) .
C58 C57 N3 Li3 117.2(3) .
C62 C57 N3 Li3 -56.1(3) .
Li1 C57 N3 Li3 70.0(3) .
C58 C57 N3 Li4 -29.6(6) .
C62 C57 N3 Li4 157.0(4) .
Li1 C57 N3 Li4 -76.8(5) .
C45 C56 N4 C69 164.7(2) .
C55 C56 N4 C69 -13.3(4) .
Li4 C56 N4 C69 -142.1(3) .
Li3 C56 N4 C69 137.2(3) .
C45 C56 N4 Li3 27.5(3) .
C55 C56 N4 Li3 -150.6(3) .
Li4 C56 N4 Li3 80.7(2) .
C45 C56 N4 Li2 -45.8(4) .
C55 C56 N4 Li2 136.2(3) .
Li4 C56 N4 Li2 7.4(3) .
Li3 C56 N4 Li2 -73.3(3) .
C45 C56 N4 Li4 -53.2(3) .
C55 C56 N4 Li4 128.8(3) .
Li3 C56 N4 Li4 -80.7(2) .
C70 C69 N4 C56 85.8(3) .
C74 C69 N4 C56 -97.8(3) .
C70 C69 N4 Li3 -149.8(3) .
C74 C69 N4 Li3 26.6(4) .
C70 C69 N4 Li2 -73.9(3) .
C74 C69 N4 Li2 102.5(3) .
C70 C69 N4 Li4 -7.4(5) .
C74 C69 N4 Li4 169.0(3) .
C45 N3 Li1 N2 -58.6(7) .
C57 N3 Li1 N2 132.6(3) .
Li3 N3 Li1 N2 12.6(3) .
Li4 N3 Li1 N2 -71.1(3) .
C45 N3 Li1 C12 -27.3(9) .
C57 N3 Li1 C12 163.9(5) .
Li3 N3 Li1 C12 43.9(5) .
Li4 N3 Li1 C12 -39.8(5) .
C45 N3 Li1 Li3 -71.2(5) .
C57 N3 Li1 Li3 120.0(2) .
Li4 N3 Li1 Li3 -83.6(2) .
C45 N3 Li1 C57 168.8(5) .
Li3 N3 Li1 C57 -120.0(2) .
Li4 N3 Li1 C57 156.3(2) .
C45 N3 Li1 C1 12.3(7) .
C57 N3 Li1 C1 -156.4(3) .
Li3 N3 Li1 C1 83.5(3) .
Li4 N3 Li1 C1 -0.1(3) .
C45 N3 Li1 C63 113.9(4) .
C57 N3 Li1 C63 -54.91(19) .
Li3 N3 Li1 C63 -175.0(2) .
Li4 N3 Li1 C63 101.4(2) .
C45 N3 Li1 C58 145.8(5) .
C57 N3 Li1 C58 -22.95(16) .
Li3 N3 Li1 C58 -143.0(2) .
Li4 N3 Li1 C58 133.4(2) .
C45 N3 Li1 Li4 12.5(5) .
C57 N3 Li1 Li4 -156.3(2) .
Li3 N3 Li1 Li4 83.6(2) .
C45 N3 Li1 Li2 -26.7(5) .
C57 N3 Li1 Li2 164.51(19) .
Li3 N3 Li1 Li2 44.47(17) .
Li4 N3 Li1 Li2 -39.2(2) .
C12 N2 Li1 N3 147.4(4) .
C25 N2 Li1 N3 -105.6(4) .
Li3 N2 Li1 N3 -13.0(3) .
Li2 N2 Li1 N3 54.4(4) .
C25 N2 Li1 C12 107.1(3) .
Li3 N2 Li1 C12 -160.3(2) .
Li2 N2 Li1 C12 -92.95(19) .
C12 N2 Li1 Li3 160.3(2) .
C25 N2 Li1 Li3 -92.6(3) .
Li2 N2 Li1 Li3 67.4(2) .
C12 N2 Li1 C57 -179.8(5) .
C25 N2 Li1 C57 -72.8(5) .
Li3 N2 Li1 C57 19.8(4) .
Li2 N2 Li1 C57 87.2(4) .
C12 N2 Li1 C1 29.66(13) .
C25 N2 Li1 C1 136.7(3) .
Li3 N2 Li1 C1 -130.7(2) .
Li2 N2 Li1 C1 -63.29(17) .
C12 N2 Li1 C58 -149.4(8) .
C25 N2 Li1 C58 -42.4(9) .
Li3 N2 Li1 C58 50.2(7) .
Li2 N2 Li1 C58 117.6(7) .
C12 N2 Li1 Li4 98.4(2) .
C25 N2 Li1 Li4 -154.5(3) .
Li3 N2 Li1 Li4 -61.9(2) .
Li2 N2 Li1 Li4 5.4(2) .
C12 N2 Li1 Li2 92.95(19) .
C25 N2 Li1 Li2 -160.0(3) .
Li3 N2 Li1 Li2 -67.4(2) .
C1 C12 Li1 N3 75.7(6) .
N2 C12 Li1 N3 -50.9(5) .
C11 C12 Li1 N3 -174.9(5) .
Li2 C12 Li1 N3 0.7(5) .
C1 C12 Li1 N2 126.6(2) .
C11 C12 Li1 N2 -124.0(2) .
Li2 C12 Li1 N2 51.59(16) .
C1 C12 Li1 Li3 110.9(3) .
N2 C12 Li1 Li3 -15.70(19) .
C11 C12 Li1 Li3 -139.7(2) .
Li2 C12 Li1 Li3 35.9(2) .
C1 C12 Li1 C57 127.2(18) .
N2 C12 Li1 C57 0.6(18) .
C11 C12 Li1 C57 -123.4(17) .
Li2 C12 Li1 C57 52.2(18) .
N2 C12 Li1 C1 -126.6(2) .
C11 C12 Li1 C1 109.4(3) .
Li2 C12 Li1 C1 -75.02(17) .
C1 C12 Li1 C63 -49.4(4) .
N2 C12 Li1 C63 -176.0(5) .
C11 C12 Li1 C63 60.0(5) .
Li2 C12 Li1 C63 -124.5(4) .
C1 C12 Li1 C58 -87.6(10) .
N2 C12 Li1 C58 145.7(10) .
C11 C12 Li1 C58 21.7(11) .
Li2 C12 Li1 C58 -162.7(10) .
C1 C12 Li1 Li4 45.1(2) .
N2 C12 Li1 Li4 -81.5(2) .
C11 C12 Li1 Li4 154.5(2) .
Li2 C12 Li1 Li4 -29.96(19) .
C1 C12 Li1 Li2 75.02(17) .
N2 C12 Li1 Li2 -51.59(16) .
C11 C12 Li1 Li2 -175.6(2) .
C58 C57 Li1 N3 -139.4(3) .
C62 C57 Li1 N3 99.9(4) .
C58 C57 Li1 N2 156.9(4) .
C62 C57 Li1 N2 36.3(6) .
N3 C57 Li1 N2 -63.7(4) .
C58 C57 Li1 C12 156.5(18) .
C62 C57 Li1 C12 36(2) .
N3 C57 Li1 C12 -64.2(18) .
C58 C57 Li1 Li3 173.2(3) .
C62 C57 Li1 Li3 52.5(4) .
N3 C57 Li1 Li3 -47.47(19) .
C58 C57 Li1 C1 -93.6(5) .
C62 C57 Li1 C1 145.7(5) .
N3 C57 Li1 C1 45.8(5) .
C58 C57 Li1 C63 -26.45(16) .
C62 C57 Li1 C63 -147.1(3) .
N3 C57 Li1 C63 112.9(2) .
C62 C57 Li1 C58 -120.7(3) .
N3 C57 Li1 C58 139.4(3) .
C58 C57 Li1 Li4 -120.7(2) .
C62 C57 Li1 Li4 118.7(3) .
N3 C57 Li1 Li4 18.72(18) .
C58 C57 Li1 Li2 -156.7(3) .
C62 C57 Li1 Li2 82.6(4) .
N3 C57 Li1 Li2 -17.3(2) .
N1 C1 Li1 N3 -1.7(3) .
C12 C1 Li1 N3 -130.9(4) .
C2 C1 Li1 N3 133.1(3) .
Li2 C1 Li1 N3 -50.8(3) .
N1 C1 Li1 N2 94.76(19) .
C12 C1 Li1 N2 -34.42(16) .
C2 C1 Li1 N2 -130.5(2) .
Li2 C1 Li1 N2 45.61(15) .
N1 C1 Li1 C12 129.2(2) .
C2 C1 Li1 C12 -96.0(2) .
Li2 C1 Li1 C12 80.03(19) .
N1 C1 Li1 Li3 56.1(3) .
C12 C1 Li1 Li3 -73.1(3) .
C2 C1 Li1 Li3 -169.2(2) .
Li2 C1 Li1 Li3 6.9(2) .
N1 C1 Li1 C57 -30.8(5) .
C12 C1 Li1 C57 -160.0(6) .
C2 C1 Li1 C57 104.0(5) .
Li2 C1 Li1 C57 -79.9(5) .
N1 C1 Li1 C63 -87.2(2) .
C12 C1 Li1 C63 143.6(3) .
C2 C1 Li1 C63 47.6(3) .
Li2 C1 Li1 C63 -136.3(2) .
N1 C1 Li1 C58 -85.8(4) .
C12 C1 Li1 C58 145.0(5) .
C2 C1 Li1 C58 48.9(5) .
Li2 C1 Li1 C58 -135.0(4) .
N1 C1 Li1 Li4 -1.81(19) .
C12 C1 Li1 Li4 -131.0(2) .
C2 C1 Li1 Li4 133.0(2) .
Li2 C1 Li1 Li4 -50.96(18) .
N1 C1 Li1 Li2 49.15(16) .
C12 C1 Li1 Li2 -80.03(19) .
C2 C1 Li1 Li2 -176.1(2) .
C58 C63 Li1 N3 58.0(2) .
C64 C63 Li1 N3 177.3(3) .
C65 C63 Li1 N3 -50.2(12) .
C58 C63 Li1 C12 -155.5(5) .
C64 C63 Li1 C12 -36.2(4) .
C65 C63 Li1 C12 96.3(11) .
C58 C63 Li1 Li3 52.2(4) .
C64 C63 Li1 Li3 171.5(5) .
C65 C63 Li1 Li3 -56.0(13) .
C58 C63 Li1 C57 25.30(15) .
C64 C63 Li1 C57 144.6(2) .
C65 C63 Li1 C57 -82.9(11) .
C58 C63 Li1 C1 178.4(3) .
C64 C63 Li1 C1 -62.3(2) .
C65 C63 Li1 C1 70.2(11) .
C64 C63 Li1 C58 119.3(2) .
C65 C63 Li1 C58 -108.2(11) .
C58 C63 Li1 Li4 109.3(2) .
C64 C63 Li1 Li4 -131.4(2) .
C65 C63 Li1 Li4 1.1(11) .
C58 C63 Li1 Li2 124.4(3) .
C64 C63 Li1 Li2 -116.3(3) .
C65 C63 Li1 Li2 16.2(13) .
C59 C58 Li1 N3 136.0(3) .
C57 C58 Li1 N3 24.92(17) .
C63 C58 Li1 N3 -110.7(2) .
C59 C58 Li1 N2 63.0(8) .
C57 C58 Li1 N2 -48.0(7) .
C63 C58 Li1 N2 176.3(8) .
C59 C58 Li1 C12 -56.3(11) .
C57 C58 Li1 C12 -167.4(10) .
C63 C58 Li1 C12 57.0(10) .
C59 C58 Li1 Li3 104.0(4) .
C57 C58 Li1 Li3 -7.1(3) .
C63 C58 Li1 Li3 -142.7(3) .
C59 C58 Li1 C57 111.1(4) .
C63 C58 Li1 C57 -135.6(2) .
C59 C58 Li1 C1 -115.7(5) .
C57 C58 Li1 C1 133.3(5) .
C63 C58 Li1 C1 -2.4(4) .
C59 C58 Li1 C63 -113.3(4) .
C57 C58 Li1 C63 135.6(2) .
C59 C58 Li1 Li4 172.2(3) .
C57 C58 Li1 Li4 61.2(2) .
C63 C58 Li1 Li4 -74.5(2) .
C59 C58 Li1 Li2 149.0(4) .
C57 C58 Li1 Li2 37.9(5) .
C63 C58 Li1 Li2 -97.7(5) .
C1 N1 Li2 N2 27.6(2) .
C13 N1 Li2 N2 158.2(2) .
Li4 N1 Li2 N2 -100.3(3) .
C1 N1 Li2 N4 132.0(2) .
C13 N1 Li2 N4 -97.4(3) .
Li4 N1 Li2 N4 4.1(3) .
C1 N1 Li2 Li4 127.9(3) .
C13 N1 Li2 Li4 -101.4(3) .
C1 N1 Li2 Li3 77.7(2) .
C13 N1 Li2 Li3 -151.6(2) .
Li4 N1 Li2 Li3 -50.2(3) .
C13 N1 Li2 C1 130.6(3) .
Li4 N1 Li2 C1 -127.9(3) .
C1 N1 Li2 C12 9.71(14) .
C13 N1 Li2 C12 140.4(2) .
Li4 N1 Li2 C12 -118.2(2) .
C1 N1 Li2 C35 -63.2(3) .
C13 N1 Li2 C35 67.5(4) .
Li4 N1 Li2 C35 168.9(4) .
C1 N1 Li2 Li1 57.71(17) .
C13 N1 Li2 Li1 -171.6(3) .
Li4 N1 Li2 Li1 -70.2(3) .
C12 N2 Li2 N1 -30.18(19) .
C25 N2 Li2 N1 -152.05(19) .
Li3 N2 Li2 N1 111.0(2) .
Li1 N2 Li2 N1 44.4(2) .
C12 N2 Li2 N4 -139.92(19) .
C25 N2 Li2 N4 98.2(2) .
Li3 N2 Li2 N4 1.26(19) .
Li1 N2 Li2 N4 -65.4(2) .
C12 N2 Li2 Li4 -80.9(2) .
C25 N2 Li2 Li4 157.2(2) .
Li3 N2 Li2 Li4 60.2(2) .
Li1 N2 Li2 Li4 -6.4(3) .
C12 N2 Li2 Li3 -141.2(2) .
C25 N2 Li2 Li3 96.9(2) .
Li1 N2 Li2 Li3 -66.6(2) .
C12 N2 Li2 C1 -14.18(13) .
C25 N2 Li2 C1 -136.0(2) .
Li3 N2 Li2 C1 127.01(17) .
Li1 N2 Li2 C1 60.39(19) .
C25 N2 Li2 C12 -121.9(2) .
Li3 N2 Li2 C12 141.2(2) .
Li1 N2 Li2 C12 74.6(2) .
C12 N2 Li2 C35 107.62(17) .
C25 N2 Li2 C35 -14.2(2) .
Li3 N2 Li2 C35 -111.19(19) .
Li1 N2 Li2 C35 -177.8(2) .
C12 N2 Li2 Li1 -74.6(2) .
C25 N2 Li2 Li1 163.6(3) .
Li3 N2 Li2 Li1 66.6(2) .
C56 N4 Li2 N1 -11.3(4) .
C69 N4 Li2 N1 140.9(2) .
Li3 N4 Li2 N1 -94.9(2) .
Li4 N4 Li2 N1 -3.7(3) .
C56 N4 Li2 N2 82.3(3) .
C69 N4 Li2 N2 -125.4(2) .
Li3 N4 Li2 N2 -1.27(19) .
Li4 N4 Li2 N2 89.9(3) .
C56 N4 Li2 Li4 -7.6(3) .
C69 N4 Li2 Li4 144.7(3) .
Li3 N4 Li2 Li4 -91.2(3) .
C56 N4 Li2 Li3 83.6(3) .
C69 N4 Li2 Li3 -124.1(2) .
Li4 N4 Li2 Li3 91.2(3) .
C56 N4 Li2 C1 18.1(4) .
C69 N4 Li2 C1 170.3(2) .
Li3 N4 Li2 C1 -65.5(3) .
Li4 N4 Li2 C1 25.7(3) .
C56 N4 Li2 C12 56.8(4) .
C69 N4 Li2 C12 -151.0(2) .
Li3 N4 Li2 C12 -26.8(2) .
Li4 N4 Li2 C12 64.4(3) .
C56 N4 Li2 C35 179.6(2) .
C69 N4 Li2 C35 -28.2(2) .
Li3 N4 Li2 C35 95.9(2) .
Li4 N4 Li2 C35 -172.9(3) .
C56 N4 Li2 Li1 47.1(3) .
C69 N4 Li2 Li1 -160.7(2) .
Li3 N4 Li2 Li1 -36.53(19) .
Li4 N4 Li2 Li1 54.7(2) .
C12 C1 Li2 N1 163.1(2) .
C2 C1 Li2 N1 -90.9(7) .
Li1 C1 Li2 N1 101.9(2) .
N1 C1 Li2 N2 -148.1(2) .
C12 C1 Li2 N2 14.95(14) .
C2 C1 Li2 N2 120.9(7) .
Li1 C1 Li2 N2 -46.24(18) .
N1 C1 Li2 N4 -62.5(3) .
C12 C1 Li2 N4 100.5(3) .
C2 C1 Li2 N4 -153.5(6) .
Li1 C1 Li2 N4 39.4(3) .
N1 C1 Li2 Li4 -40.0(2) .
C12 C1 Li2 Li4 123.1(2) .
C2 C1 Li2 Li4 -130.9(7) .
Li1 C1 Li2 Li4 61.9(2) .
N1 C1 Li2 Li3 -108.6(2) .
C12 C1 Li2 Li3 54.5(2) .
C2 C1 Li2 Li3 160.5(7) .
Li1 C1 Li2 Li3 -6.7(2) .
N1 C1 Li2 C12 -163.1(2) .
C2 C1 Li2 C12 106.0(7) .
Li1 C1 Li2 C12 -61.2(2) .
N1 C1 Li2 C35 137.1(3) .
C12 C1 Li2 C35 -59.8(2) .
C2 C1 Li2 C35 46.2(8) .
Li1 C1 Li2 C35 -121.0(2) .
N1 C1 Li2 Li1 -101.9(2) .
C12 C1 Li2 Li1 61.2(2) .
C2 C1 Li2 Li1 167.2(8) .
C1 C12 Li2 N1 -9.98(15) .
N2 C12 Li2 N1 145.0(2) .
C11 C12 Li2 N1 -111.9(5) .
Li1 C12 Li2 N1 79.0(2) .
C1 C12 Li2 N2 -155.0(2) .
C11 C12 Li2 N2 103.0(6) .
Li1 C12 Li2 N2 -66.0(2) .
C1 C12 Li2 N4 -103.6(3) .
N2 C12 Li2 N4 51.5(2) .
C11 C12 Li2 N4 154.5(5) .
Li1 C12 Li2 N4 -14.6(3) .
C1 C12 Li2 Li4 -53.5(2) .
N2 C12 Li2 Li4 101.5(2) .
C11 C12 Li2 Li4 -155.5(5) .
Li1 C12 Li2 Li4 35.5(3) .
C1 C12 Li2 Li3 -124.7(2) .
N2 C12 Li2 Li3 30.34(17) .
C11 C12 Li2 Li3 133.4(5) .
Li1 C12 Li2 Li3 -35.7(2) .
N2 C12 Li2 C1 155.0(2) .
C11 C12 Li2 C1 -102.0(6) .
Li1 C12 Li2 C1 89.0(2) .
C1 C12 Li2 C35 129.3(2) .
N2 C12 Li2 C35 -75.74(19) .
C11 C12 Li2 C35 27.3(6) .
Li1 C12 Li2 C35 -141.8(2) .
C1 C12 Li2 Li1 -89.0(2) .
N2 C12 Li2 Li1 66.0(2) .
C11 C12 Li2 Li1 169.1(6) .
C34 C35 Li2 N1 50.4(3) .
C34 C35 Li2 N2 -39.3(2) .
C34 C35 Li2 N4 -144.9(2) .
C34 C35 Li2 Li4 -174.9(12) .
C34 C35 Li2 Li3 -90.0(2) .
C34 C35 Li2 C1 18.5(2) .
C34 C35 Li2 C12 -8.0(2) .
C34 C35 Li2 Li1 -41.1(3) .
N3 Li1 Li2 N1 103.3(3) .
N2 Li1 Li2 N1 -127.6(3) .
C12 Li1 Li2 N1 -77.1(2) .
Li3 Li1 Li2 N1 153.6(3) .
C57 Li1 Li2 N1 113.2(3) .
C1 Li1 Li2 N1 -35.35(13) .
C63 Li1 Li2 N1 39.0(3) .
C58 Li1 Li2 N1 91.8(5) .
Li4 Li1 Li2 N1 59.8(2) .
N3 Li1 Li2 N2 -129.0(3) .
C12 Li1 Li2 N2 50.50(17) .
Li3 Li1 Li2 N2 -78.8(3) .
C57 Li1 Li2 N2 -119.1(4) .
C1 Li1 Li2 N2 92.3(2) .
C63 Li1 Li2 N2 166.6(4) .
C58 Li1 Li2 N2 -140.6(6) .
Li4 Li1 Li2 N2 -172.5(3) .
N3 Li1 Li2 N4 -11.2(2) .
N2 Li1 Li2 N4 117.9(2) .
C12 Li1 Li2 N4 168.4(2) .
Li3 Li1 Li2 N4 39.08(19) .
C57 Li1 Li2 N4 -1.3(3) .
C1 Li1 Li2 N4 -149.9(2) .
C63 Li1 Li2 N4 -75.5(3) .
C58 Li1 Li2 N4 -22.8(5) .
Li4 Li1 Li2 N4 -54.7(2) .
N3 Li1 Li2 Li4 43.5(2) .
N2 Li1 Li2 Li4 172.5(3) .
C12 Li1 Li2 Li4 -137.0(3) .
Li3 Li1 Li2 Li4 93.7(3) .
C57 Li1 Li2 Li4 53.4(3) .
C1 Li1 Li2 Li4 -95.2(2) .
C63 Li1 Li2 Li4 -20.8(3) .
C58 Li1 Li2 Li4 31.9(5) .
N3 Li1 Li2 Li3 -50.2(2) .
N2 Li1 Li2 Li3 78.8(3) .
C12 Li1 Li2 Li3 129.3(3) .
C57 Li1 Li2 Li3 -40.4(2) .
C1 Li1 Li2 Li3 171.1(3) .
C63 Li1 Li2 Li3 -114.6(4) .
C58 Li1 Li2 Li3 -61.8(4) .
Li4 Li1 Li2 Li3 -93.7(3) .
N3 Li1 Li2 C1 138.7(3) .
N2 Li1 Li2 C1 -92.3(2) .
C12 Li1 Li2 C1 -41.77(13) .
Li3 Li1 Li2 C1 -171.1(3) .
C57 Li1 Li2 C1 148.6(4) .
C63 Li1 Li2 C1 74.4(3) .
C58 Li1 Li2 C1 127.1(5) .
Li4 Li1 Li2 C1 95.2(2) .
N3 Li1 Li2 C12 -179.5(4) .
N2 Li1 Li2 C12 -50.50(17) .
Li3 Li1 Li2 C12 -129.3(3) .
C57 Li1 Li2 C12 -169.6(4) .
C1 Li1 Li2 C12 41.77(13) .
C63 Li1 Li2 C12 116.1(4) .
C58 Li1 Li2 C12 168.9(6) .
Li4 Li1 Li2 C12 137.0(3) .
N3 Li1 Li2 C35 -126.2(3) .
N2 Li1 Li2 C35 2.9(3) .
C12 Li1 Li2 C35 53.4(3) .
Li3 Li1 Li2 C35 -75.9(3) .
C57 Li1 Li2 C35 -116.3(3) .
C1 Li1 Li2 C35 95.2(3) .
C63 Li1 Li2 C35 169.5(3) .
C58 Li1 Li2 C35 -137.7(4) .
Li4 Li1 Li2 C35 -169.7(3) .
C56 N4 Li3 N2 -136.4(2) .
C69 N4 Li3 N2 92.4(3) .
Li2 N4 Li3 N2 1.4(2) .
Li4 N4 Li3 N2 -66.7(2) .
C56 N4 Li3 N3 -30.1(2) .
C69 N4 Li3 N3 -161.3(2) .
Li2 N4 Li3 N3 107.65(19) .
Li4 N4 Li3 N3 39.6(2) .
C56 N4 Li3 Li1 -76.2(3) .
C69 N4 Li3 Li1 152.6(2) .
Li2 N4 Li3 Li1 61.5(3) .
Li4 N4 Li3 Li1 -6.5(3) .
C56 N4 Li3 Li2 -137.7(2) .
C69 N4 Li3 Li2 91.1(2) .
Li4 N4 Li3 Li2 -68.1(2) .
C69 N4 Li3 C56 -131.2(3) .
Li2 N4 Li3 C56 137.7(2) .
Li4 N4 Li3 C56 69.7(2) .
C56 N4 Li3 C45 -13.73(14) .
C69 N4 Li3 C45 -144.9(2) .
Li2 N4 Li3 C45 124.02(16) .
Li4 N4 Li3 C45 55.95(17) .
C56 N4 Li3 C25 -167.6(2) .
C69 N4 Li3 C25 61.2(3) .
Li2 N4 Li3 C25 -29.9(2) .
Li4 N4 Li3 C25 -97.9(3) .
C56 N4 Li3 Li4 -69.7(2) .
C69 N4 Li3 Li4 159.1(3) .
Li2 N4 Li3 Li4 68.1(2) .
C12 N2 Li3 N4 76.1(4) .
C25 N2 Li3 N4 -120.3(2) .
Li1 N2 Li3 N4 106.5(3) .
Li2 N2 Li3 N4 -1.4(2) .
C12 N2 Li3 N3 -18.2(4) .
C25 N2 Li3 N3 145.4(2) .
Li1 N2 Li3 N3 12.2(3) .
Li2 N2 Li3 N3 -95.7(2) .
C12 N2 Li3 Li1 -30.4(4) .
C25 N2 Li3 Li1 133.2(3) .
Li2 N2 Li3 Li1 -107.9(3) .
C12 N2 Li3 Li2 77.5(3) .
C25 N2 Li3 Li2 -118.9(2) .
Li1 N2 Li3 Li2 107.9(3) .
C12 N2 Li3 C56 47.0(5) .
C25 N2 Li3 C56 -149.4(3) .
Li1 N2 Li3 C56 77.4(3) .
Li2 N2 Li3 C56 -30.5(3) .
C12 N2 Li3 C45 7.2(5) .
C25 N2 Li3 C45 170.8(2) .
Li1 N2 Li3 C45 37.6(3) .
Li2 N2 Li3 C45 -70.3(3) .
C12 N2 Li3 C25 -163.6(4) .
Li1 N2 Li3 C25 -133.2(3) .
Li2 N2 Li3 C25 118.9(2) .
C12 N2 Li3 Li4 30.4(4) .
C25 N2 Li3 Li4 -166.0(2) .
Li1 N2 Li3 Li4 60.7(3) .
Li2 N2 Li3 Li4 -47.1(2) .
C45 N3 Li3 N4 28.1(2) .
C57 N3 Li3 N4 153.89(19) .
Li1 N3 Li3 N4 -124.3(3) .
Li4 N3 Li3 N4 -39.2(2) .
C45 N3 Li3 N2 139.8(2) .
C57 N3 Li3 N2 -94.4(2) .
Li1 N3 Li3 N2 -12.6(3) .
Li4 N3 Li3 N2 72.5(2) .
C45 N3 Li3 Li1 152.4(3) .
C57 N3 Li3 Li1 -81.8(3) .
Li4 N3 Li3 Li1 85.1(3) .
C45 N3 Li3 Li2 82.6(2) .
C57 N3 Li3 Li2 -151.5(2) .
Li1 N3 Li3 Li2 -69.8(3) .
Li4 N3 Li3 Li2 15.4(2) .
C45 N3 Li3 C56 10.50(14) .
C57 N3 Li3 C56 136.3(2) .
Li1 N3 Li3 C56 -141.9(3) .
Li4 N3 Li3 C56 -56.75(17) .
C57 N3 Li3 C45 125.8(3) .
Li1 N3 Li3 C45 -152.4(3) .
Li4 N3 Li3 C45 -67.3(2) .
C45 N3 Li3 C25 161.3(2) .
C57 N3 Li3 C25 -72.8(3) .
Li1 N3 Li3 C25 8.9(3) .
Li4 N3 Li3 C25 94.1(3) .
C45 N3 Li3 Li4 67.3(2) .
C57 N3 Li3 Li4 -166.9(3) .
Li1 N3 Li3 Li4 -85.1(3) .
N3 Li1 Li3 N4 65.8(3) .
N2 Li1 Li3 N4 -99.3(3) .
C12 Li1 Li3 N4 -87.0(3) .
C57 Li1 Li3 N4 96.4(3) .
C1 Li1 Li3 N4 -54.8(3) .
C63 Li1 Li3 N4 72.6(5) .
C58 Li1 Li3 N4 100.2(3) .
Li4 Li1 Li3 N4 5.6(2) .
Li2 Li1 Li3 N4 -47.4(2) .
N3 Li1 Li3 N2 165.1(3) .
C12 Li1 Li3 N2 12.35(15) .
C57 Li1 Li3 N2 -164.3(3) .
C1 Li1 Li3 N2 44.52(17) .
C63 Li1 Li3 N2 171.9(5) .
C58 Li1 Li3 N2 -160.5(4) .
Li4 Li1 Li3 N2 105.0(2) .
Li2 Li1 Li3 N2 51.90(19) .
N2 Li1 Li3 N3 -165.1(3) .
C12 Li1 Li3 N3 -152.8(4) .
C57 Li1 Li3 N3 30.57(12) .
C1 Li1 Li3 N3 -120.6(3) .
C63 Li1 Li3 N3 6.8(3) .
C58 Li1 Li3 N3 34.41(18) .
Li4 Li1 Li3 N3 -60.2(2) .
Li2 Li1 Li3 N3 -113.2(2) .
N3 Li1 Li3 Li2 113.2(2) .
N2 Li1 Li3 Li2 -51.90(19) .
C12 Li1 Li3 Li2 -39.6(2) .
C57 Li1 Li3 Li2 143.8(2) .
C1 Li1 Li3 Li2 -7.4(2) .
C63 Li1 Li3 Li2 120.0(4) .
C58 Li1 Li3 Li2 147.6(3) .
Li4 Li1 Li3 Li2 53.06(19) .
N3 Li1 Li3 C56 33.9(2) .
N2 Li1 Li3 C56 -131.2(2) .
C12 Li1 Li3 C56 -118.9(2) .
C57 Li1 Li3 C56 64.5(2) .
C1 Li1 Li3 C56 -86.7(2) .
C63 Li1 Li3 C56 40.7(5) .
C58 Li1 Li3 C56 68.3(3) .
Li4 Li1 Li3 C56 -26.24(19) .
Li2 Li1 Li3 C56 -79.30(19) .
N3 Li1 Li3 C45 14.20(15) .
N2 Li1 Li3 C45 -150.9(2) .
C12 Li1 Li3 C45 -138.6(3) .
C57 Li1 Li3 C45 44.77(16) .
C1 Li1 Li3 C45 -106.4(2) .
C63 Li1 Li3 C45 21.0(4) .
C58 Li1 Li3 C45 48.6(3) .
Li4 Li1 Li3 C45 -45.96(16) .
Li2 Li1 Li3 C45 -99.02(18) .
N3 Li1 Li3 C25 -172.9(2) .
N2 Li1 Li3 C25 21.96(13) .
C12 Li1 Li3 C25 34.3(2) .
C57 Li1 Li3 C25 -142.4(2) .
C1 Li1 Li3 C25 66.5(2) .
C63 Li1 Li3 C25 -166.1(5) .
C58 Li1 Li3 C25 -138.5(3) .
Li4 Li1 Li3 C25 126.9(2) .
Li2 Li1 Li3 C25 73.86(16) .
N3 Li1 Li3 Li4 60.2(2) .
N2 Li1 Li3 Li4 -105.0(2) .
C12 Li1 Li3 Li4 -92.6(3) .
C57 Li1 Li3 Li4 90.7(2) .
C1 Li1 Li3 Li4 -60.4(2) .
C63 Li1 Li3 Li4 67.0(4) .
C58 Li1 Li3 Li4 94.6(3) .
Li2 Li1 Li3 Li4 -53.06(19) .
N1 Li2 Li3 N4 102.7(2) .
N2 Li2 Li3 N4 178.4(2) .
Li4 Li2 Li3 N4 63.5(2) .
C1 Li2 Li3 N4 133.6(2) .
C12 Li2 Li3 N4 158.48(19) .
C35 Li2 Li3 N4 -103.7(2) .
Li1 Li2 Li3 N4 126.7(2) .
N1 Li2 Li3 N2 -75.8(2) .
N4 Li2 Li3 N2 -178.4(2) .
Li4 Li2 Li3 N2 -115.0(2) .
C1 Li2 Li3 N2 -44.86(14) .
C12 Li2 Li3 N2 -19.96(11) .
C35 Li2 Li3 N2 77.85(19) .
Li1 Li2 Li3 N2 -51.72(19) .
N1 Li2 Li3 N3 24.2(3) .
N2 Li2 Li3 N3 100.0(2) .
N4 Li2 Li3 N3 -78.42(19) .
Li4 Li2 Li3 N3 -14.9(2) .
C1 Li2 Li3 N3 55.2(2) .
C12 Li2 Li3 N3 80.06(18) .
C35 Li2 Li3 N3 177.86(17) .
Li1 Li2 Li3 N3 48.3(2) .
N1 Li2 Li3 Li1 -24.1(2) .
N2 Li2 Li3 Li1 51.72(19) .
N4 Li2 Li3 Li1 -126.7(2) .
Li4 Li2 Li3 Li1 -63.2(2) .
C1 Li2 Li3 Li1 6.9(2) .
C12 Li2 Li3 Li1 31.77(19) .
C35 Li2 Li3 Li1 129.6(2) .
N1 Li2 Li3 C56 81.7(2) .
N2 Li2 Li3 C56 157.5(2) .
N4 Li2 Li3 C56 -20.98(11) .
Li4 Li2 Li3 C56 42.5(2) .
C1 Li2 Li3 C56 112.59(16) .
C12 Li2 Li3 C56 137.50(15) .
C35 Li2 Li3 C56 -124.70(17) .
Li1 Li2 Li3 C56 105.7(2) .
N1 Li2 Li3 C45 55.8(2) .
N2 Li2 Li3 C45 131.6(2) .
N4 Li2 Li3 C45 -46.88(14) .
Li4 Li2 Li3 C45 16.6(2) .
C1 Li2 Li3 C45 86.70(17) .
C12 Li2 Li3 C45 111.60(16) .
C35 Li2 Li3 C45 -150.59(16) .
Li1 Li2 Li3 C45 79.8(2) .
N1 Li2 Li3 C25 -103.1(2) .
N2 Li2 Li3 C25 -27.35(10) .
N4 Li2 Li3 C25 154.21(19) .
Li4 Li2 Li3 C25 -142.3(2) .
C1 Li2 Li3 C25 -72.21(14) .
C12 Li2 Li3 C25 -47.31(11) .
C35 Li2 Li3 C25 50.50(16) .
Li1 Li2 Li3 C25 -79.07(19) .
N1 Li2 Li3 Li4 39.2(2) .
N2 Li2 Li3 Li4 115.0(2) .
N4 Li2 Li3 Li4 -63.5(2) .
C1 Li2 Li3 Li4 70.1(2) .
C12 Li2 Li3 Li4 95.0(2) .
C35 Li2 Li3 Li4 -167.2(3) .
Li1 Li2 Li3 Li4 63.2(2) .
C45 C56 Li3 N4 -155.9(2) .
C55 C56 Li3 N4 101.1(5) .
Li4 C56 Li3 N4 -82.1(3) .
C45 C56 Li3 N2 -96.6(3) .
N4 C56 Li3 N2 59.3(3) .
C55 C56 Li3 N2 160.5(4) .
Li4 C56 Li3 N2 -22.8(3) .
C45 C56 Li3 N3 -10.82(15) .
N4 C56 Li3 N3 145.1(2) .
C55 C56 Li3 N3 -113.8(5) .
Li4 C56 Li3 N3 63.0(2) .
C45 C56 Li3 Li1 -41.0(2) .
N4 C56 Li3 Li1 114.9(3) .
C55 C56 Li3 Li1 -144.0(5) .
Li4 C56 Li3 Li1 32.7(3) .
C45 C56 Li3 Li2 -121.5(2) .
N4 C56 Li3 Li2 34.42(18) .
C55 C56 Li3 Li2 135.6(5) .
Li4 C56 Li3 Li2 -47.7(2) .
N4 C56 Li3 C45 155.9(2) .
C55 C56 Li3 C45 -103.0(5) .
Li4 C56 Li3 C45 73.8(2) .
C45 C56 Li3 C25 -132.0(4) .
N4 C56 Li3 C25 24.0(4) .
C55 C56 Li3 C25 125.1(5) .
Li4 C56 Li3 C25 -58.2(5) .
C45 C56 Li3 Li4 -73.8(2) .
N4 C56 Li3 Li4 82.1(3) .
C55 C56 Li3 Li4 -176.7(6) .
C56 C45 Li3 N4 14.26(15) .
N3 C45 Li3 N4 -147.4(2) .
C46 C45 Li3 N4 118.4(7) .
Li4 C45 Li3 N4 -62.6(2) .
C56 C45 Li3 N2 109.6(3) .
N3 C45 Li3 N2 -52.1(3) .
C46 C45 Li3 N2 -146.3(6) .
Li4 C45 Li3 N2 32.7(3) .
C56 C45 Li3 N3 161.7(2) .
C46 C45 Li3 N3 -94.2(7) .
Li4 C45 Li3 N3 84.8(3) .
C56 C45 Li3 Li1 139.9(2) .
N3 C45 Li3 Li1 -21.8(2) .
C46 C45 Li3 Li1 -115.9(7) .
Li4 C45 Li3 Li1 63.1(3) .
C56 C45 Li3 Li2 58.3(2) .
N3 C45 Li3 Li2 -103.3(2) .
C46 C45 Li3 Li2 162.5(7) .
Li4 C45 Li3 Li2 -18.5(2) .
N3 C45 Li3 C56 -161.7(2) .
C46 C45 Li3 C56 104.2(7) .
Li4 C45 Li3 C56 -76.8(2) .
C56 C45 Li3 C25 121.6(5) .
N3 C45 Li3 C25 -40.1(5) .
C46 C45 Li3 C25 -134.3(7) .
Li4 C45 Li3 C25 44.8(5) .
C56 C45 Li3 Li4 76.8(2) .
N3 C45 Li3 Li4 -84.8(3) .
C46 C45 Li3 Li4 -179.0(8) .
C30 C25 Li3 N4 -20.8(4) .
C26 C25 Li3 N4 -153.7(2) .
N2 C25 Li3 N4 74.5(3) .
C30 C25 Li3 N2 -95.3(3) .
C26 C25 Li3 N2 131.9(2) .
C30 C25 Li3 N3 -140.1(3) .
C26 C25 Li3 N3 87.0(3) .
N2 C25 Li3 N3 -44.9(3) .
C30 C25 Li3 Li1 -132.9(3) .
C26 C25 Li3 Li1 94.2(2) .
N2 C25 Li3 Li1 -37.6(2) .
C30 C25 Li3 Li2 -46.5(3) .
C26 C25 Li3 Li2 -179.3(2) .
N2 C25 Li3 Li2 48.78(19) .
C30 C25 Li3 C56 -35.6(6) .
C26 C25 Li3 C56 -168.5(4) .
N2 C25 Li3 C56 59.6(4) .
C30 C25 Li3 C45 -114.4(5) .
C26 C25 Li3 C45 112.8(5) .
N2 C25 Li3 C45 -19.1(5) .
C30 C25 Li3 Li4 -79.7(3) .
C26 C25 Li3 Li4 147.4(3) .
N2 C25 Li3 Li4 15.5(2) .
C1 N1 Li4 C45 -14.3(9) .
C13 N1 Li4 C45 -162.4(7) .
Li2 N1 Li4 C45 72.7(7) .
C1 N1 Li4 C56 -89.4(7) .
C13 N1 Li4 C56 122.5(6) .
Li2 N1 Li4 C56 -2.4(6) .
C1 N1 Li4 N4 -90.9(4) .
C13 N1 Li4 N4 120.9(3) .
Li2 N1 Li4 N4 -3.9(3) .
C1 N1 Li4 N3 -4.1(5) .
C13 N1 Li4 N3 -152.2(2) .
Li2 N1 Li4 N3 83.0(3) .
C1 N1 Li4 Li2 -87.0(3) .
C13 N1 Li4 Li2 124.8(2) .
C1 N1 Li4 C19 109.8(3) .
C13 N1 Li4 C19 -38.3(3) .
Li2 N1 Li4 C19 -163.1(2) .
C1 N1 Li4 C13 148.1(4) .
Li2 N1 Li4 C13 -124.8(2) .
C1 N1 Li4 Li1 -2.9(3) .
C13 N1 Li4 Li1 -151.0(2) .
Li2 N1 Li4 Li1 84.1(2) .
C1 N1 Li4 Li3 -47.6(4) .
C13 N1 Li4 Li3 164.3(2) .
Li2 N1 Li4 Li3 39.5(2) .
C56 C45 Li4 N1 -116.1(8) .
N3 C45 Li4 N1 15.5(7) .
C46 C45 Li4 N1 141.5(6) .
Li3 C45 Li4 N1 -38.2(7) .
N3 C45 Li4 C56 131.6(2) .
C46 C45 Li4 C56 -102.4(3) .
Li3 C45 Li4 C56 77.92(18) .
C56 C45 Li4 N4 -28.38(15) .
N3 C45 Li4 N4 103.21(18) .
C46 C45 Li4 N4 -130.8(2) .
Li3 C45 Li4 N4 49.54(14) .
C56 C45 Li4 N3 -131.6(2) .
C46 C45 Li4 N3 126.0(3) .
Li3 C45 Li4 N3 -53.67(16) .
C56 C45 Li4 Li2 -57.8(3) .
N3 C45 Li4 Li2 73.8(3) .
C46 C45 Li4 Li2 -160.2(3) .
Li3 C45 Li4 Li2 20.1(3) .
C56 C45 Li4 C19 128.1(3) .
N3 C45 Li4 C19 -100.3(3) .
C46 C45 Li4 C19 25.7(5) .
Li3 C45 Li4 C19 -154.0(4) .
C56 C45 Li4 Li1 -127.0(2) .
N3 C45 Li4 Li1 4.57(17) .
C46 C45 Li4 Li1 130.6(2) .
Li3 C45 Li4 Li1 -49.10(17) .
C56 C45 Li4 Li3 -77.92(18) .
N3 C45 Li4 Li3 53.67(16) .
C46 C45 Li4 Li3 179.7(3) .
C45 C56 Li4 N1 130.8(7) .
N4 C56 Li4 N1 -2.4(6) .
C55 C56 Li4 N1 -132.1(6) .
Li3 C56 Li4 N1 49.5(6) .
N4 C56 Li4 C45 -133.2(2) .
C55 C56 Li4 C45 97.1(3) .
Li3 C56 Li4 C45 -81.31(19) .
C45 C56 Li4 N4 133.2(2) .
C55 C56 Li4 N4 -129.8(3) .
Li3 C56 Li4 N4 51.86(16) .
C45 C56 Li4 N3 29.25(15) .
N4 C56 Li4 N3 -103.92(18) .
C55 C56 Li4 N3 126.3(3) .
Li3 C56 Li4 N3 -52.06(14) .
C45 C56 Li4 Li2 128.8(3) .
N4 C56 Li4 Li2 -4.3(2) .
C55 C56 Li4 Li2 -134.1(3) .
Li3 C56 Li4 Li2 47.5(2) .
C45 C56 Li4 C19 -75.3(4) .
N4 C56 Li4 C19 151.5(5) .
C55 C56 Li4 C19 21.7(6) .
Li3 C56 Li4 C19 -156.6(5) .
C45 C56 Li4 C13 -172.7(6) .
N4 C56 Li4 C13 54.2(5) .
C55 C56 Li4 C13 -75.6(6) .
Li3 C56 Li4 C13 106.0(5) .
C45 C56 Li4 Li1 54.1(2) .
N4 C56 Li4 Li1 -79.0(2) .
C55 C56 Li4 Li1 151.2(2) .
Li3 C56 Li4 Li1 -27.16(19) .
C45 C56 Li4 Li3 81.31(19) .
N4 C56 Li4 Li3 -51.86(16) .
C55 C56 Li4 Li3 178.4(3) .
C56 N4 Li4 N1 178.6(4) .
C69 N4 Li4 N1 -73.3(5) .
Li3 N4 Li4 N1 76.9(3) .
Li2 N4 Li4 N1 3.9(3) .
C56 N4 Li4 C45 28.44(15) .
C69 N4 Li4 C45 136.6(3) .
Li3 N4 Li4 C45 -73.25(19) .
Li2 N4 Li4 C45 -146.2(2) .
C69 N4 Li4 C56 108.1(4) .
Li3 N4 Li4 C56 -101.7(2) .
Li2 N4 Li4 C56 -174.6(2) .
C56 N4 Li4 N3 64.80(17) .
C69 N4 Li4 N3 172.9(3) .
Li3 N4 Li4 N3 -36.89(18) .
Li2 N4 Li4 N3 -109.8(2) .
C56 N4 Li4 Li2 174.6(2) .
C69 N4 Li4 Li2 -77.2(4) .
Li3 N4 Li4 Li2 73.0(2) .
C56 N4 Li4 C19 -72.6(8) .
C69 N4 Li4 C19 35.6(10) .
Li3 N4 Li4 C19 -174.3(8) .
Li2 N4 Li4 C19 112.8(8) .
C56 N4 Li4 C13 -152.1(3) .
C69 N4 Li4 C13 -44.0(5) .
Li3 N4 Li4 C13 106.2(3) .
Li2 N4 Li4 C13 33.3(3) .
C56 N4 Li4 Li1 106.7(2) .
C69 N4 Li4 Li1 -145.2(3) .
Li3 N4 Li4 Li1 5.0(2) .
Li2 N4 Li4 Li1 -67.9(2) .
C56 N4 Li4 Li3 101.7(2) .
C69 N4 Li4 Li3 -150.2(4) .
Li2 N4 Li4 Li3 -73.0(2) .
C45 N3 Li4 N1 -172.0(4) .
C57 N3 Li4 N1 80.3(6) .
Li1 N3 Li4 N1 1.6(3) .
Li3 N3 Li4 N1 -70.8(3) .
C57 N3 Li4 C45 -107.7(5) .
Li1 N3 Li4 C45 173.5(2) .
Li3 N3 Li4 C45 101.2(2) .
C45 N3 Li4 C56 -29.36(15) .
C57 N3 Li4 C56 -137.1(5) .
Li1 N3 Li4 C56 144.2(2) .
Li3 N3 Li4 C56 71.81(17) .
C45 N3 Li4 N4 -65.66(18) .
C57 N3 Li4 N4 -173.4(4) .
Li1 N3 Li4 N4 107.9(2) .
Li3 N3 Li4 N4 35.51(17) .
C45 N3 Li4 Li2 -116.4(3) .
C57 N3 Li4 Li2 135.8(4) .
Li1 N3 Li4 Li2 57.1(3) .
Li3 N3 Li4 Li2 -15.3(2) .
C45 N3 Li4 C19 98.2(3) .
C57 N3 Li4 C19 -9.5(7) .
Li1 N3 Li4 C19 -88.2(3) .
Li3 N3 Li4 C19 -160.6(3) .
C45 N3 Li4 C13 167.3(4) .
C57 N3 Li4 C13 59.6(7) .
Li1 N3 Li4 C13 -19.2(4) .
Li3 N3 Li4 C13 -91.5(4) .
C45 N3 Li4 Li1 -173.5(2) .
C57 N3 Li4 Li1 78.7(5) .
Li3 N3 Li4 Li1 -72.4(2) .
C45 N3 Li4 Li3 -101.2(2) .
C57 N3 Li4 Li3 151.1(5) .
Li1 N3 Li4 Li3 72.4(2) .
N2 Li2 Li4 N1 82.5(2) .
N4 Li2 Li4 N1 -175.5(3) .
Li3 Li2 Li4 N1 128.9(3) .
C1 Li2 Li4 N1 25.42(13) .
C12 Li2 Li4 N1 50.61(18) .
C35 Li2 Li4 N1 -142.3(12) .
Li1 Li2 Li4 N1 77.8(2) .
N1 Li2 Li4 C45 -150.8(4) .
N2 Li2 Li4 C45 -68.3(3) .
N4 Li2 Li4 C45 33.7(2) .
Li3 Li2 Li4 C45 -22.0(3) .
C1 Li2 Li4 C45 -125.4(3) .
C12 Li2 Li4 C45 -100.2(3) .
C35 Li2 Li4 C45 66.9(14) .
Li1 Li2 Li4 C45 -73.1(3) .
N1 Li2 Li4 C56 178.7(4) .
N2 Li2 Li4 C56 -98.8(3) .
N4 Li2 Li4 C56 3.20(15) .
Li3 Li2 Li4 C56 -52.5(2) .
C1 Li2 Li4 C56 -155.9(3) .
C12 Li2 Li4 C56 -130.7(2) .
C35 Li2 Li4 C56 36.4(13) .
Li1 Li2 Li4 C56 -103.6(3) .
N1 Li2 Li4 N4 175.5(3) .
N2 Li2 Li4 N4 -102.0(2) .
Li3 Li2 Li4 N4 -55.67(17) .
C1 Li2 Li4 N4 -159.1(2) .
C12 Li2 Li4 N4 -133.9(2) .
C35 Li2 Li4 N4 33.2(12) .
Li1 Li2 Li4 N4 -106.8(2) .
N1 Li2 Li4 N3 -115.3(3) .
N2 Li2 Li4 N3 -32.8(3) .
N4 Li2 Li4 N3 69.25(19) .
Li3 Li2 Li4 N3 13.6(2) .
C1 Li2 Li4 N3 -89.9(2) .
C12 Li2 Li4 N3 -64.7(2) .
C35 Li2 Li4 N3 102.4(12) .
Li1 Li2 Li4 N3 -37.5(2) .
N1 Li2 Li4 C19 22.2(3) .
N2 Li2 Li4 C19 104.7(4) .
N4 Li2 Li4 C19 -153.3(5) .
Li3 Li2 Li4 C19 151.0(4) .
C1 Li2 Li4 C19 47.6(4) .
C12 Li2 Li4 C19 72.8(4) .
C35 Li2 Li4 C19 -120.1(11) .
Li1 Li2 Li4 C19 99.9(4) .
N1 Li2 Li4 C13 24.47(11) .
N2 Li2 Li4 C13 106.98(19) .
N4 Li2 Li4 C13 -151.0(3) .
Li3 Li2 Li4 C13 153.3(2) .
C1 Li2 Li4 C13 49.89(12) .
C12 Li2 Li4 C13 75.08(16) .
C35 Li2 Li4 C13 -117.8(12) .
Li1 Li2 Li4 C13 102.2(2) .
N1 Li2 Li4 Li1 -77.8(2) .
N2 Li2 Li4 Li1 4.8(2) .
N4 Li2 Li4 Li1 106.8(2) .
Li3 Li2 Li4 Li1 51.10(19) .
C1 Li2 Li4 Li1 -52.34(17) .
C12 Li2 Li4 Li1 -27.15(18) .
C35 Li2 Li4 Li1 139.9(12) .
N1 Li2 Li4 Li3 -128.9(3) .
N2 Li2 Li4 Li3 -46.35(17) .
N4 Li2 Li4 Li3 55.67(17) .
C1 Li2 Li4 Li3 -103.45(19) .
C12 Li2 Li4 Li3 -78.25(17) .
C35 Li2 Li4 Li3 88.8(12) .
Li1 Li2 Li4 Li3 -51.10(19) .
C14 C19 Li4 N1 37.1(2) .
C21 C19 Li4 N1 150.0(3) .
C20 C19 Li4 N1 -92.8(5) .
C14 C19 Li4 C45 -168.5(3) .
C21 C19 Li4 C45 -55.6(3) .
C20 C19 Li4 C45 61.6(6) .
C14 C19 Li4 C56 -128.4(5) .
C21 C19 Li4 C56 -15.5(5) .
C20 C19 Li4 C56 101.7(6) .
C14 C19 Li4 N4 -77.3(8) .
C21 C19 Li4 N4 35.6(8) .
C20 C19 Li4 N4 152.8(7) .
C14 C19 Li4 N3 150.5(3) .
C21 C19 Li4 N3 -96.6(3) .
C20 C19 Li4 N3 20.6(6) .
C14 C19 Li4 Li2 18.7(4) .
C21 C19 Li4 Li2 131.6(4) .
C20 C19 Li4 Li2 -111.2(5) .
C14 C19 Li4 C13 16.04(16) .
C21 C19 Li4 C13 128.9(2) .
C20 C19 Li4 C13 -113.9(4) .
C14 C19 Li4 Li1 103.4(3) .
C21 C19 Li4 Li1 -143.7(3) .
C20 C19 Li4 Li1 -26.5(5) .
C14 C19 Li4 Li3 112.9(6) .
C21 C19 Li4 Li3 -134.2(7) .
C20 C19 Li4 Li3 -17.0(9) .
C14 C13 Li4 N1 -150.9(3) .
C18 C13 Li4 N1 72.9(5) .
C14 C13 Li4 C56 102.3(5) .
C18 C13 Li4 C56 -33.9(8) .
N1 C13 Li4 C56 -106.8(6) .
C14 C13 Li4 N4 137.1(3) .
C18 C13 Li4 N4 0.9(6) .
N1 C13 Li4 N4 -72.0(3) .
C14 C13 Li4 N3 -110.0(4) .
C18 C13 Li4 N3 113.9(5) .
N1 C13 Li4 N3 41.0(3) .
C14 C13 Li4 Li2 164.7(2) .
C18 C13 Li4 Li2 28.5(5) .
N1 C13 Li4 Li2 -44.4(2) .
C14 C13 Li4 C19 -17.39(17) .
C18 C13 Li4 C19 -153.6(4) .
N1 C13 Li4 C19 133.5(3) .
C14 C13 Li4 Li1 -123.3(2) .
C18 C13 Li4 Li1 100.5(5) .
N1 C13 Li4 Li1 27.6(2) .
C14 C13 Li4 Li3 -169.6(3) .
C18 C13 Li4 Li3 54.2(6) .
N1 C13 Li4 Li3 -18.7(2) .
N3 Li1 Li4 N1 -178.5(3) .
N2 Li1 Li4 N1 -62.5(2) .
C12 Li1 Li4 N1 -23.5(2) .
Li3 Li1 Li4 N1 -113.6(2) .
C57 Li1 Li4 N1 168.1(2) .
C1 Li1 Li4 N1 1.36(14) .
C63 Li1 Li4 N1 108.1(2) .
C58 Li1 Li4 N1 140.3(2) .
Li2 Li1 Li4 N1 -57.71(18) .
N3 Li1 Li4 C45 -3.90(15) .
N2 Li1 Li4 C45 112.1(2) .
C12 Li1 Li4 C45 151.1(2) .
Li3 Li1 Li4 C45 61.0(2) .
C57 Li1 Li4 C45 -17.27(19) .
C1 Li1 Li4 C45 176.0(2) .
C63 Li1 Li4 C45 -77.3(2) .
C58 Li1 Li4 C45 -45.1(2) .
Li2 Li1 Li4 C45 116.9(2) .
N3 Li1 Li4 C56 -33.4(2) .
N2 Li1 Li4 C56 82.6(3) .
C12 Li1 Li4 C56 121.6(3) .
Li3 Li1 Li4 C56 31.5(2) .
C57 Li1 Li4 C56 -46.7(3) .
C1 Li1 Li4 C56 146.5(3) .
C63 Li1 Li4 C56 -106.8(3) .
C58 Li1 Li4 C56 -74.5(3) .
Li2 Li1 Li4 C56 87.4(3) .
N3 Li1 Li4 N4 -69.5(2) .
N2 Li1 Li4 N4 46.5(2) .
C12 Li1 Li4 N4 85.5(2) .
Li3 Li1 Li4 N4 -4.61(19) .
C57 Li1 Li4 N4 -82.9(2) .
C1 Li1 Li4 N4 110.4(2) .
C63 Li1 Li4 N4 -142.9(2) .
C58 Li1 Li4 N4 -110.7(2) .
Li2 Li1 Li4 N4 51.31(19) .
N2 Li1 Li4 N3 116.0(3) .
C12 Li1 Li4 N3 155.0(3) .
Li3 Li1 Li4 N3 64.9(2) .
C57 Li1 Li4 N3 -13.36(13) .
C1 Li1 Li4 N3 179.9(3) .
C63 Li1 Li4 N3 -73.37(19) .
C58 Li1 Li4 N3 -41.16(18) .
Li2 Li1 Li4 N3 120.8(3) .
N3 Li1 Li4 Li2 -120.8(3) .
N2 Li1 Li4 Li2 -4.8(2) .
C12 Li1 Li4 Li2 34.2(2) .
Li3 Li1 Li4 Li2 -55.9(2) .
C57 Li1 Li4 Li2 -134.2(2) .
C1 Li1 Li4 Li2 59.07(17) .
C63 Li1 Li4 Li2 165.8(2) .
C58 Li1 Li4 Li2 -162.0(2) .
N3 Li1 Li4 C19 110.2(3) .
N2 Li1 Li4 C19 -133.8(2) .
C12 Li1 Li4 C19 -94.8(3) .
Li3 Li1 Li4 C19 175.1(3) .
C57 Li1 Li4 C19 96.9(2) .
C1 Li1 Li4 C19 -69.9(2) .
C63 Li1 Li4 C19 36.9(3) .
C58 Li1 Li4 C19 69.1(3) .
Li2 Li1 Li4 C19 -129.0(3) .
N3 Li1 Li4 C13 167.8(3) .
N2 Li1 Li4 C13 -76.2(2) .
C12 Li1 Li4 C13 -37.2(2) .
Li3 Li1 Li4 C13 -127.3(2) .
C57 Li1 Li4 C13 154.4(2) .
C1 Li1 Li4 C13 -12.35(17) .
C63 Li1 Li4 C13 94.4(2) .
C58 Li1 Li4 C13 126.6(2) .
Li2 Li1 Li4 C13 -71.4(2) .
N3 Li1 Li4 Li3 -64.9(2) .
N2 Li1 Li4 Li3 51.11(18) .
C12 Li1 Li4 Li3 90.1(2) .
C57 Li1 Li4 Li3 -78.2(2) .
C1 Li1 Li4 Li3 115.0(2) .
C63 Li1 Li4 Li3 -138.3(3) .
C58 Li1 Li4 Li3 -106.0(3) .
Li2 Li1 Li4 Li3 55.9(2) .
N4 Li3 Li4 N1 -112.8(3) .
N2 Li3 Li4 N1 8.3(3) .
N3 Li3 Li4 N1 121.5(3) .
Li1 Li3 Li4 N1 60.7(3) .
Li2 Li3 Li4 N1 -39.9(2) .
C56 Li3 Li4 N1 -154.8(4) .
C45 Li3 Li4 N1 163.0(4) .
C25 Li3 Li4 N1 0.6(4) .
N4 Li3 Li4 C45 84.2(2) .
N2 Li3 Li4 C45 -154.7(2) .
N3 Li3 Li4 C45 -41.55(14) .
Li1 Li3 Li4 C45 -102.4(3) .
Li2 Li3 Li4 C45 157.1(3) .
C56 Li3 Li4 C45 42.11(13) .
C25 Li3 Li4 C45 -162.5(2) .
N4 Li3 Li4 C56 42.09(15) .
N2 Li3 Li4 C56 163.1(2) .
N3 Li3 Li4 C56 -83.66(19) .
Li1 Li3 Li4 C56 -144.5(3) .
Li2 Li3 Li4 C56 115.0(3) .
C45 Li3 Li4 C56 -42.11(13) .
C25 Li3 Li4 C56 155.4(2) .
N2 Li3 Li4 N4 121.1(2) .
N3 Li3 Li4 N4 -125.8(2) .
Li1 Li3 Li4 N4 173.4(3) .
Li2 Li3 Li4 N4 72.9(2) .
C56 Li3 Li4 N4 -42.09(15) .
C45 Li3 Li4 N4 -84.2(2) .
C25 Li3 Li4 N4 113.3(2) .
N4 Li3 Li4 N3 125.8(2) .
N2 Li3 Li4 N3 -113.2(2) .
Li1 Li3 Li4 N3 -60.8(2) .
Li2 Li3 Li4 N3 -161.4(3) .
C56 Li3 Li4 N3 83.66(19) .
C45 Li3 Li4 N3 41.55(14) .
C25 Li3 Li4 N3 -120.9(2) .
N4 Li3 Li4 Li2 -72.9(2) .
N2 Li3 Li4 Li2 48.18(19) .
N3 Li3 Li4 Li2 161.4(3) .
Li1 Li3 Li4 Li2 100.6(2) .
C56 Li3 Li4 Li2 -115.0(3) .
C45 Li3 Li4 Li2 -157.1(3) .
C25 Li3 Li4 Li2 40.4(2) .
N4 Li3 Li4 C19 174.7(7) .
N2 Li3 Li4 C19 -64.3(7) .
N3 Li3 Li4 C19 48.9(6) .
Li1 Li3 Li4 C19 -11.9(6) .
Li2 Li3 Li4 C19 -112.5(7) .
C56 Li3 Li4 C19 132.6(7) .
C45 Li3 Li4 C19 90.5(7) .
C25 Li3 Li4 C19 -72.0(7) .
N4 Li3 Li4 C13 -103.8(4) .
N2 Li3 Li4 C13 17.3(3) .
N3 Li3 Li4 C13 130.5(4) .
Li1 Li3 Li4 C13 69.7(3) .
Li2 Li3 Li4 C13 -30.9(3) .
C56 Li3 Li4 C13 -145.9(4) .
C45 Li3 Li4 C13 172.0(4) .
C25 Li3 Li4 C13 9.5(4) .
N4 Li3 Li4 Li1 -173.4(3) .
N2 Li3 Li4 Li1 -52.39(19) .
N3 Li3 Li4 Li1 60.8(2) .
Li2 Li3 Li4 Li1 -100.6(2) .
C56 Li3 Li4 Li1 144.5(3) .
C45 Li3 Li4 Li1 102.4(3) .
C25 Li3 Li4 Li1 -60.1(2) .
