#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/31/4063168.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_4063168
_journal_name_full               Organometallics
_journal_year                    2004
_chemical_formula_sum            'C59 H80 B4 Li4 N18 O3'
_chemical_formula_weight         1160.41
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.557(11)
_cell_angle_beta                 107.462(10)
_cell_angle_gamma                113.098(10)
_cell_formula_units_Z            2
_cell_length_a                   13.7072(18)
_cell_length_b                   14.255(2)
_cell_length_c                   19.550(3)
_cell_measurement_temperature    100(2)
_cell_volume                     3232.7(7)
_diffrn_ambient_temperature      100(2)
_exptl_crystal_density_diffrn    1.192
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4063168
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 1.0006(6) 0.5935(6) 0.3842(4) 0.0494(16) Uani 1 1 d . . .
O11 O 1.1467(2) 0.6700(3) 0.46466(18) 0.0614(8) Uani 1 1 d . . .
C12 C 1.2546(5) 0.7096(7) 0.4558(4) 0.111(3) Uani 1 1 d . . .
H12A H 1.2427 0.6984 0.4024 0.134 Uiso 1 1 calc R . .
H12B H 1.2991 0.6730 0.4783 0.134 Uiso 1 1 calc R . .
C13 C 1.3150(9) 0.8225(8) 0.4935(6) 0.171(4) Uani 1 1 d . . .
H13A H 1.3265 0.8644 0.4571 0.205 Uiso 1 1 calc R . .
H13B H 1.3911 0.8399 0.5308 0.205 Uiso 1 1 calc R . .
C14 C 1.2438(6) 0.8492(6) 0.5315(5) 0.131(3) Uani 1 1 d . . .
H14A H 1.2911 0.8914 0.5837 0.157 Uiso 1 1 calc R . .
H14B H 1.2066 0.8885 0.5047 0.157 Uiso 1 1 calc R . .
C15 C 1.1575(5) 0.7420(5) 0.5273(3) 0.0776(15) Uani 1 1 d . . .
H15A H 1.1834 0.7214 0.5736 0.093 Uiso 1 1 calc R . .
H15B H 1.0829 0.7419 0.5206 0.093 Uiso 1 1 calc R . .
N21 N 0.9539(3) 0.4431(3) 0.3232(2) 0.0538(9) Uani 1 1 d . . .
N22 N 0.8543(3) 0.4093(3) 0.2623(2) 0.0624(10) Uani 1 1 d . . .
H22 H 0.8232 0.4507 0.2477 0.075 Uiso 1 1 calc R . .
C21 C 0.9670(5) 0.3547(4) 0.3279(3) 0.0672(14) Uani 1 1 d . . .
H21 H 1.0289 0.3519 0.3645 0.081 Uiso 1 1 calc R . .
C22 C 0.8762(5) 0.2672(4) 0.2708(3) 0.0683(14) Uani 1 1 d . . .
H22A H 0.8634 0.1957 0.2637 0.082 Uiso 1 1 calc R . .
C23 C 0.8092(4) 0.3060(4) 0.2273(3) 0.0618(12) Uani 1 1 d . . .
H23 H 0.7448 0.2679 0.1820 0.074 Uiso 1 1 calc R . .
N31 N 0.7762(2) 0.5961(2) 0.36384(16) 0.0349(7) Uani 1 1 d . . .
N32 N 0.8635(3) 0.5773(2) 0.40520(17) 0.0408(7) Uani 1 1 d . . .
C31 C 0.6898(3) 0.5613(3) 0.3888(2) 0.0378(8) Uani 1 1 d . . .
H31 H 0.6199 0.5659 0.3698 0.045 Uiso 1 1 calc R . .
C32 C 0.7199(3) 0.5179(3) 0.4464(2) 0.0429(9) Uani 1 1 d . . .
H32 H 0.6762 0.4872 0.4747 0.051 Uiso 1 1 calc R . .
C33 C 0.8274(3) 0.5290(3) 0.4538(2) 0.0421(9) Uani 1 1 d . . .
H33 H 0.8704 0.5053 0.4891 0.050 Uiso 1 1 calc R . .
N34 N 0.8620(3) 0.6484(2) 0.26429(16) 0.0363(7) Uani 1 1 d . . .
N35 N 0.9693(3) 0.6590(3) 0.29967(19) 0.0480(8) Uani 1 1 d . . .
C34 C 0.8449(3) 0.6462(3) 0.1922(2) 0.0408(9) Uani 1 1 d . . .
H34 H 0.7771 0.6406 0.1561 0.049 Uiso 1 1 calc R . .
C35 C 0.9396(4) 0.6535(3) 0.1791(2) 0.0530(11) Uani 1 1 d . . .
H35 H 0.9515 0.6538 0.1337 0.064 Uiso 1 1 calc R . .
C36 C 1.0144(4) 0.6601(4) 0.2477(3) 0.0566(12) Uani 1 1 d . . .
H36 H 1.0885 0.6648 0.2566 0.068 Uiso 1 1 calc R . .
B1 B 0.7814(4) 0.6640(3) 0.3046(2) 0.0342(9) Uani 1 1 d . . .
C1 C 0.8360(3) 0.7907(3) 0.3472(2) 0.0392(8) Uani 1 1 d . . .
C2 C 0.7523(4) 0.8146(3) 0.3758(2) 0.0460(10) Uani 1 1 d . . .
H2A H 0.6801 0.7932 0.3340 0.069 Uiso 1 1 calc R . .
H2B H 0.7862 0.8905 0.3990 0.069 Uiso 1 1 calc R . .
H2C H 0.7374 0.7751 0.4124 0.069 Uiso 1 1 calc R . .
C3 C 0.9454(4) 0.8260(3) 0.4154(2) 0.0522(10) Uani 1 1 d . . .
H3A H 0.9290 0.7827 0.4499 0.078 Uiso 1 1 calc R . .
H3B H 0.9738 0.9005 0.4403 0.078 Uiso 1 1 calc R . .
H3C H 1.0037 0.8173 0.3999 0.078 Uiso 1 1 calc R . .
C4 C 0.8680(4) 0.8621(3) 0.2963(2) 0.0469(10) Uani 1 1 d . . .
H4A H 0.8001 0.8424 0.2516 0.070 Uiso 1 1 calc R . .
H4B H 0.9273 0.8533 0.2820 0.070 Uiso 1 1 calc R . .
H4C H 0.8972 0.9361 0.3228 0.070 Uiso 1 1 calc R . .
C41 C 0.6551(3) 0.6064(3) 0.23797(19) 0.0317(8) Uani 1 1 d . . .
C42 C 0.6060(3) 0.4967(3) 0.20539(19) 0.0307(8) Uani 1 1 d . . .
H42 H 0.6418 0.4581 0.2299 0.037 Uiso 1 1 calc R . .
C43 C 0.5097(3) 0.4405(3) 0.14052(18) 0.0281(7) Uani 1 1 d . . .
C44 C 0.4549(3) 0.4978(3) 0.1066(2) 0.0328(8) Uani 1 1 d . . .
H44 H 0.3884 0.4627 0.0622 0.039 Uiso 1 1 calc R . .
C45 C 0.4973(3) 0.6053(3) 0.1374(2) 0.0353(8) Uani 1 1 d . . .
H45 H 0.4587 0.6430 0.1148 0.042 Uiso 1 1 calc R . .
C46 C 0.5952(3) 0.6573(3) 0.2008(2) 0.0352(8) Uani 1 1 d . . .
H46 H 0.6234 0.7311 0.2202 0.042 Uiso 1 1 calc R . .
B2 B 0.4704(3) 0.3197(3) 0.1032(2) 0.0269(8) Uani 1 1 d . . .
O1 O 0.45648(19) 0.24739(17) 0.15302(12) 0.0270(5) Uani 1 1 d . . .
H1 H 0.4979 0.2824 0.1973 0.032 Uiso 1 1 calc R . .
N51 N 0.3515(2) 0.2668(2) 0.03786(14) 0.0268(6) Uani 1 1 d . . .
N52 N 0.2551(2) 0.2412(2) 0.05395(16) 0.0326(7) Uani 1 1 d . . .
C51 C 0.3221(3) 0.2466(3) -0.03640(18) 0.0332(8) Uani 1 1 d . . .
H51 H 0.3741 0.2586 -0.0612 0.040 Uiso 1 1 calc R . .
C52 C 0.2053(3) 0.2058(3) -0.07052(19) 0.0349(8) Uani 1 1 d . . .
H52 H 0.1603 0.1834 -0.1223 0.042 Uiso 1 1 calc R . .
C53 C 0.1680(3) 0.2050(3) -0.01150(19) 0.0331(8) Uani 1 1 d . . .
H53 H 0.0901 0.1815 -0.0172 0.040 Uiso 1 1 calc R . .
N54 N 0.5569(2) 0.3090(2) 0.06936(14) 0.0279(6) Uani 1 1 d . . .
N55 N 0.5475(2) 0.2103(2) 0.04693(16) 0.0341(7) Uani 1 1 d . . .
C54 C 0.6376(3) 0.3808(3) 0.05134(19) 0.0334(8) Uani 1 1 d . . .
H54 H 0.6593 0.4545 0.0609 0.040 Uiso 1 1 calc R . .
C55 C 0.6831(3) 0.3286(3) 0.0165(2) 0.0377(9) Uani 1 1 d . . .
H55 H 0.7418 0.3581 -0.0021 0.045 Uiso 1 1 calc R . .
C56 C 0.6231(3) 0.2226(3) 0.01483(19) 0.0349(8) Uani 1 1 d . . .
H56 H 0.6349 0.1666 -0.0065 0.042 Uiso 1 1 calc R . .
Li2 Li 0.2431(5) 0.3001(5) 0.1511(3) 0.0338(13) Uani 1 1 d . . .
O61 O 0.1246(2) 0.3475(2) 0.11715(14) 0.0413(6) Uani 1 1 d . . .
C62 C 0.0692(4) 0.3568(3) 0.1686(2) 0.0508(10) Uani 1 1 d . . .
H62A H -0.0037 0.2922 0.1551 0.061 Uiso 1 1 calc R . .
H62B H 0.1194 0.3667 0.2200 0.061 Uiso 1 1 calc R . .
C63 C 0.0483(10) 0.4451(7) 0.1632(6) 0.187(5) Uani 1 1 d . . .
H63A H -0.0316 0.4262 0.1581 0.224 Uiso 1 1 calc R . .
H63B H 0.0999 0.5029 0.2092 0.224 Uiso 1 1 calc R . .
C64 C 0.0661(6) 0.4798(5) 0.1023(4) 0.0907(19) Uani 1 1 d . . .
H64A H 0.1091 0.5579 0.1159 0.109 Uiso 1 1 calc R . .
H64B H -0.0079 0.4575 0.0609 0.109 Uiso 1 1 calc R . .
C65 C 0.1338(4) 0.4301(3) 0.0799(3) 0.0522(11) Uani 1 1 d . . .
H65A H 0.1019 0.4005 0.0253 0.063 Uiso 1 1 calc R . .
H65B H 0.2149 0.4827 0.0956 0.063 Uiso 1 1 calc R . .
N71 N 0.1695(2) 0.1591(2) 0.24417(15) 0.0307(6) Uani 1 1 d . . .
N72 N 0.1715(2) 0.1499(2) 0.17361(15) 0.0299(6) Uani 1 1 d . . .
C71 C 0.0596(3) 0.1086(3) 0.2378(2) 0.0415(9) Uani 1 1 d . . .
H71 H 0.0350 0.1038 0.2784 0.050 Uiso 1 1 calc R . .
C72 C -0.0111(3) 0.0655(3) 0.1647(2) 0.0466(10) Uani 1 1 d . . .
H72 H -0.0922 0.0258 0.1445 0.056 Uiso 1 1 calc R . .
C73 C 0.0620(3) 0.0927(3) 0.1264(2) 0.0347(8) Uani 1 1 d . . .
H73 H 0.0378 0.0734 0.0738 0.042 Uiso 1 1 calc R . .
N74 N 0.3194(2) 0.3453(2) 0.31720(15) 0.0332(7) Uani 1 1 d . . .
N75 N 0.3358(3) 0.3812(2) 0.25656(16) 0.0359(7) Uani 1 1 d . . .
C74 C 0.3762(3) 0.4862(3) 0.2774(2) 0.0408(9) Uani 1 1 d . . .
H74 H 0.3964 0.5320 0.2470 0.049 Uiso 1 1 calc R . .
C75 C 0.3848(4) 0.5194(3) 0.3495(2) 0.0485(10) Uani 1 1 d . . .
H75 H 0.4101 0.5895 0.3771 0.058 Uiso 1 1 calc R . .
C76 C 0.3485(3) 0.4282(3) 0.3719(2) 0.0449(10) Uani 1 1 d . . .
H76 H 0.3446 0.4246 0.4192 0.054 Uiso 1 1 calc R . .
B3 B 0.2853(4) 0.2244(3) 0.3144(2) 0.0323(9) Uani 1 1 d . . .
C5 C 0.2703(3) 0.1961(3) 0.3922(2) 0.0416(9) Uani 1 1 d . . .
C6 C 0.2307(4) 0.0767(4) 0.3852(3) 0.0622(14) Uani 1 1 d . . .
H6A H 0.1565 0.0362 0.3439 0.093 Uiso 1 1 calc R . .
H6B H 0.2234 0.0613 0.4315 0.093 Uiso 1 1 calc R . .
H6C H 0.2873 0.0569 0.3757 0.093 Uiso 1 1 calc R . .
C7 C 0.1841(4) 0.2255(4) 0.4148(2) 0.0561(11) Uani 1 1 d . . .
H7A H 0.1094 0.1917 0.3735 0.084 Uiso 1 1 calc R . .
H7B H 0.2125 0.3024 0.4266 0.084 Uiso 1 1 calc R . .
H7C H 0.1762 0.2008 0.4585 0.084 Uiso 1 1 calc R . .
C8 C 0.3859(4) 0.2492(4) 0.4584(2) 0.0615(13) Uani 1 1 d . . .
H8A H 0.4177 0.3261 0.4671 0.092 Uiso 1 1 calc R . .
H8B H 0.4390 0.2255 0.4474 0.092 Uiso 1 1 calc R . .
H8C H 0.3746 0.2296 0.5029 0.092 Uiso 1 1 calc R . .
C91 C 0.4461(3) 0.0720(2) 0.24998(18) 0.0272(7) Uani 1 1 d . . .
C92 C 0.3623(3) 0.0989(3) 0.26194(18) 0.0278(7) Uani 1 1 d . . .
H92 H 0.2855 0.0449 0.2430 0.033 Uiso 1 1 calc R . .
C93 C 0.3840(3) 0.1982(3) 0.29929(18) 0.0287(7) Uani 1 1 d . . .
C94 C 0.4988(3) 0.2756(3) 0.32840(18) 0.0309(8) Uani 1 1 d . . .
H94 H 0.5179 0.3449 0.3543 0.037 Uiso 1 1 calc R . .
C95 C 0.5851(3) 0.2526(3) 0.32006(18) 0.0315(8) Uani 1 1 d . . .
H95 H 0.6623 0.3060 0.3405 0.038 Uiso 1 1 calc R . .
C96 C 0.5586(3) 0.1519(3) 0.28186(18) 0.0295(7) Uani 1 1 d . . .
H96 H 0.6186 0.1372 0.2774 0.035 Uiso 1 1 calc R . .
Li3 Li 0.4663(5) 0.1165(5) 0.1041(3) 0.0369(13) Uani 1 1 d . . .
Li4 Li 0.3079(5) 0.1471(4) 0.1492(3) 0.0338(13) Uani 1 1 d . . .
N81 N 0.3046(2) -0.0719(2) 0.12709(16) 0.0323(7) Uani 1 1 d . . .
N82 N 0.3010(2) 0.0067(2) 0.09294(16) 0.0329(7) Uani 1 1 d . . .
C81 C 0.2159(3) -0.1638(3) 0.0843(2) 0.0396(9) Uani 1 1 d . . .
H81 H 0.1996 -0.2301 0.0956 0.048 Uiso 1 1 calc R . .
C82 C 0.1511(3) -0.1485(3) 0.0211(2) 0.0407(9) Uani 1 1 d . . .
H82 H 0.0833 -0.1996 -0.0185 0.049 Uiso 1 1 calc R . .
C83 C 0.2088(3) -0.0412(3) 0.0295(2) 0.0379(9) Uani 1 1 d . . .
H83 H 0.1858 -0.0056 -0.0056 0.045 Uiso 1 1 calc R . .
N84 N 0.5120(2) -0.0392(2) 0.17624(16) 0.0328(7) Uani 1 1 d . . .
N85 N 0.5392(2) 0.0238(2) 0.13026(16) 0.0337(7) Uani 1 1 d . . .
C84 C 0.5883(3) -0.0776(3) 0.1957(2) 0.0461(10) Uani 1 1 d . . .
H84 H 0.5889 -0.1226 0.2280 0.055 Uiso 1 1 calc R . .
C85 C 0.6650(4) -0.0423(3) 0.1621(2) 0.0473(10) Uani 1 1 d . . .
H85 H 0.7277 -0.0574 0.1658 0.057 Uiso 1 1 calc R . .
C86 C 0.6308(3) 0.0203(3) 0.1215(2) 0.0363(8) Uani 1 1 d . . .
H86 H 0.6675 0.0561 0.0914 0.044 Uiso 1 1 calc R . .
B4 B 0.4105(3) -0.0451(3) 0.2022(2) 0.0326(9) Uani 1 1 d . . .
C9 C 0.3818(3) -0.1350(3) 0.2500(2) 0.0437(10) Uani 1 1 d . . .
C97 C 0.4776(4) -0.0955(4) 0.3280(2) 0.0578(12) Uani 1 1 d . . .
H97A H 0.4915 -0.0250 0.3525 0.087 Uiso 1 1 calc R . .
H97B H 0.5480 -0.0919 0.3231 0.087 Uiso 1 1 calc R . .
H97C H 0.4541 -0.1445 0.3577 0.087 Uiso 1 1 calc R . .
C98 C 0.2763(4) -0.1503(4) 0.2681(3) 0.0647(13) Uani 1 1 d . . .
H98A H 0.2092 -0.1760 0.2218 0.097 Uiso 1 1 calc R . .
H98B H 0.2888 -0.0826 0.2967 0.097 Uiso 1 1 calc R . .
H98C H 0.2634 -0.2020 0.2975 0.097 Uiso 1 1 calc R . .
C99 C 0.3670(5) -0.2450(4) 0.2162(3) 0.0668(13) Uani 1 1 d . . .
H99A H 0.3070 -0.2745 0.1662 0.100 Uiso 1 1 calc R . .
H99B H 0.3453 -0.2918 0.2476 0.100 Uiso 1 1 calc R . .
H99C H 0.4393 -0.2386 0.2131 0.100 Uiso 1 1 calc R . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Li1 O11 1.918(8) . ?
Li1 N32 1.973(7) . ?
Li1 N35 2.007(7) . ?
Li1 N21 2.076(8) . ?
O11 C12 1.435(6) . ?
O11 C15 1.436(6) . ?
C12 C13 1.463(12) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.520(12) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.496(8) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
N21 C21 1.350(5) . ?
N21 N22 1.375(5) . ?
N22 C23 1.349(6) . ?
N22 H22 0.8800 . ?
C21 C22 1.407(7) . ?
C21 H21 0.9500 . ?
C22 C23 1.382(7) . ?
C22 H22A 0.9500 . ?
C23 H23 0.9500 . ?
N31 C31 1.352(4) . ?
N31 N32 1.372(4) . ?
N31 B1 1.592(4) . ?
N32 C33 1.337(4) . ?
C31 C32 1.378(5) . ?
C31 H31 0.9500 . ?
C32 C33 1.379(5) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
N34 C34 1.352(4) . ?
N34 N35 1.363(4) . ?
N34 B1 1.601(5) . ?
N35 C36 1.337(5) . ?
C34 C35 1.365(5) . ?
C34 H34 0.9500 . ?
C35 C36 1.389(6) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
B1 C41 1.629(6) . ?
B1 C1 1.656(5) . ?
C1 C3 1.529(6) . ?
C1 C4 1.538(5) . ?
C1 C2 1.546(5) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C41 C46 1.399(4) . ?
C41 C42 1.412(5) . ?
C42 C43 1.388(5) . ?
C42 H42 0.9500 . ?
C43 C44 1.405(4) . ?
C43 B2 1.593(5) . ?
C44 C45 1.389(5) . ?
C44 H44 0.9500 . ?
C45 C46 1.377(5) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
B2 O1 1.495(4) . ?
B2 N51 1.557(5) . ?
B2 N54 1.568(4) . ?
O1 Li4 1.948(6) . ?
O1 Li3 2.070(6) . ?
O1 H1 0.8400 . ?
N51 C51 1.347(4) . ?
N51 N52 1.369(3) . ?
N52 C53 1.333(4) . ?
N52 Li2 2.066(6) . ?
C51 C52 1.374(5) . ?
C51 H51 0.9500 . ?
C52 C53 1.395(4) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
N54 C54 1.350(4) . ?
N54 N55 1.367(4) . ?
N55 C56 1.332(4) . ?
N55 Li3 2.049(6) . ?
C54 C55 1.382(4) . ?
C54 H54 0.9500 . ?
C55 C56 1.399(5) . ?
C55 H55 0.9500 . ?
C56 H56 0.9500 . ?
Li2 O61 1.961(6) . ?
Li2 N75 1.984(7) . ?
Li2 N72 2.138(6) . ?
O61 C65 1.438(4) . ?
O61 C62 1.454(4) . ?
C62 C63 1.404(7) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C64 1.392(8) . ?
C63 H63A 0.9900 . ?
C63 H63B 0.9900 . ?
C64 C65 1.498(6) . ?
C64 H64A 0.9900 . ?
C64 H64B 0.9900 . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
N71 C71 1.349(4) . ?
N71 N72 1.381(3) . ?
N71 B3 1.585(5) . ?
N72 C73 1.344(4) . ?
N72 Li4 2.077(5) . ?
C71 C72 1.365(6) . ?
C71 H71 0.9500 . ?
C72 C73 1.387(5) . ?
C72 H72 0.9500 . ?
C73 H73 0.9500 . ?
N74 C76 1.336(5) . ?
N74 N75 1.388(4) . ?
N74 B3 1.588(5) . ?
N75 C74 1.337(5) . ?
C74 C75 1.388(5) . ?
C74 H74 0.9500 . ?
C75 C76 1.372(5) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
B3 C93 1.632(4) . ?
B3 C5 1.668(5) . ?
C5 C8 1.537(6) . ?
C5 C6 1.546(6) . ?
C5 C7 1.557(5) . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C91 C96 1.395(5) . ?
C91 C92 1.416(4) . ?
C91 B4 1.622(5) . ?
C92 C93 1.390(5) . ?
C92 H92 0.9500 . ?
C93 C94 1.405(5) . ?
C94 C95 1.393(4) . ?
C94 H94 0.9500 . ?
C95 C96 1.391(5) . ?
C95 H95 0.9500 . ?
C96 H96 0.9500 . ?
Li3 N85 1.972(6) . ?
Li3 N82 2.114(6) . ?
Li4 N82 2.124(6) . ?
N81 C81 1.336(5) . ?
N81 N82 1.378(4) . ?
N81 B4 1.602(5) . ?
N82 C83 1.339(5) . ?
C81 C82 1.385(5) . ?
C81 H81 0.9500 . ?
C82 C83 1.382(5) . ?
C82 H82 0.9500 . ?
C83 H83 0.9500 . ?
N84 C84 1.341(4) . ?
N84 N85 1.369(3) . ?
N84 B4 1.593(4) . ?
N85 C86 1.336(4) . ?
C84 C85 1.365(5) . ?
C84 H84 0.9500 . ?
C85 C86 1.384(5) . ?
C85 H85 0.9500 . ?
C86 H86 0.9500 . ?
B4 C9 1.663(5) . ?
C9 C98 1.530(5) . ?
C9 C99 1.540(6) . ?
C9 C97 1.546(6) . ?
C97 H97A 0.9800 . ?
C97 H97B 0.9800 . ?
C97 H97C 0.9800 . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
