#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:37:37 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178525 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/29/4062937.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_4062937
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049778+
_journal_year                    2004
_chemical_formula_sum            'C54 H102 B20 Cl3 Li N2 O5 Si2 Sm2'
_chemical_formula_weight         1545.75
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.00
_cell_angle_beta                 108.9150(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.1872(7)
_cell_length_b                   17.9123(6)
_cell_length_c                   22.2992(8)
_cell_measurement_temperature    293(2)
_cell_volume                     7628.0(5)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.346
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062937
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Sm1 Sm 0.648277(7) 0.153552(8) 0.952142(7) 0.04119(4) Uani 1 1 d . . .
Sm2 Sm 0.475648(7) 0.252350(9) 0.847205(7) 0.04333(4) Uani 1 1 d . . .
Cl1 Cl 0.58776(3) 0.29420(4) 0.95068(3) 0.0497(2) Uani 1 1 d . . .
Cl2 Cl 0.50415(3) 0.12582(4) 0.92743(3) 0.0501(2) Uani 1 1 d . . .
Cl3 Cl 0.58803(4) 0.18268(4) 0.82401(3) 0.0542(2) Uani 1 1 d . . .
Si1 Si 0.81326(4) 0.08897(5) 0.91247(4) 0.0555(3) Uani 1 1 d . . .
Si2 Si 0.40842(4) 0.45851(5) 0.83123(4) 0.0605(3) Uani 1 1 d . . .
C1' C 0.49866(14) 0.35907(17) 0.77541(14) 0.0555(10) Uani 1 1 d . . .
C2' C 0.46428(14) 0.44674(17) 0.77931(14) 0.0566(10) Uani 1 1 d . . .
C3' C 0.32521(18) 0.5054(2) 0.78425(19) 0.1076(16) Uani 1 1 d . . .
H3'A H 0.3009 0.4748 0.7485 0.161 Uiso 1 1 calc R . .
H3'B H 0.3357 0.5530 0.7696 0.161 Uiso 1 1 calc R . .
H3'C H 0.2962 0.5126 0.8105 0.161 Uiso 1 1 calc R . .
C4' C 0.45406(18) 0.5193(2) 0.90044(16) 0.0947(14) Uani 1 1 d . . .
H4'A H 0.4970 0.4960 0.9252 0.142 Uiso 1 1 calc R . .
H4'B H 0.4245 0.5263 0.9261 0.142 Uiso 1 1 calc R . .
H4'C H 0.4640 0.5669 0.8855 0.142 Uiso 1 1 calc R . .
C11' C 0.38958(13) 0.36505(16) 0.85475(14) 0.0498(10) Uani 1 1 d . . .
C12' C 0.34715(14) 0.31241(17) 0.80967(15) 0.0607(11) Uani 1 1 d . . .
H12A H 0.3215 0.3252 0.7655 0.073 Uiso 1 1 calc R . .
C13' C 0.33597(14) 0.24637(16) 0.83871(16) 0.0604(11) Uani 1 1 d . . .
C14' C 0.37019(14) 0.21194(18) 0.95792(15) 0.0686(10) Uani 1 1 d . . .
H14A H 0.3490 0.1652 0.9518 0.082 Uiso 1 1 calc R . .
C15' C 0.40207(16) 0.23759(18) 1.01734(15) 0.0740(11) Uani 1 1 d . . .
H15A H 0.4012 0.2090 1.0519 0.089 Uiso 1 1 calc R . .
C16' C 0.43660(16) 0.3073(2) 1.02748(15) 0.0754(12) Uani 1 1 d . . .
H16A H 0.4589 0.3232 1.0688 0.090 Uiso 1 1 calc R . .
C17' C 0.43833(14) 0.35214(18) 0.97837(14) 0.0613(11) Uani 1 1 d . . .
H17A H 0.4629 0.3970 0.9862 0.074 Uiso 1 1 calc R . .
C18' C 0.40223(13) 0.32942(15) 0.91535(13) 0.0482(9) Uani 1 1 d . . .
C19' C 0.36909(14) 0.25597(18) 0.90539(15) 0.0607(10) Uani 1 1 d . . .
C20' C 0.29973(16) 0.17988(19) 0.80504(19) 0.0823(14) Uani 1 1 d . . .
H20A H 0.2642 0.1961 0.7664 0.099 Uiso 1 1 calc R . .
H20B H 0.2758 0.1560 0.8312 0.099 Uiso 1 1 calc R . .
C21' C 0.3441(2) 0.1235(2) 0.7882(2) 0.1328(19) Uani 1 1 d . . .
H21A H 0.3649 0.0923 0.8250 0.159 Uiso 1 1 calc R . .
H21D H 0.3140 0.0918 0.7553 0.159 Uiso 1 1 calc R . .
C22' C 0.3745(3) 0.1802(2) 0.70322(18) 0.138(2) Uani 1 1 d . . .
H22A H 0.3472 0.1430 0.6749 0.207 Uiso 1 1 calc R . .
H22B H 0.4137 0.1939 0.6902 0.207 Uiso 1 1 calc R . .
H22C H 0.3460 0.2234 0.7022 0.207 Uiso 1 1 calc R . .
C23' C 0.4393(2) 0.0812(2) 0.7668(2) 0.120(2) Uani 1 1 d . . .
H23A H 0.4101 0.0462 0.7374 0.180 Uiso 1 1 calc R . .
H23B H 0.4541 0.0599 0.8086 0.180 Uiso 1 1 calc R . .
H23C H 0.4795 0.0926 0.7546 0.180 Uiso 1 1 calc R . .
C1 C 0.75838(13) 0.23373(16) 0.95620(14) 0.0506(10) Uani 1 1 d . . .
C2 C 0.82640(13) 0.18983(17) 0.93848(13) 0.0518(10) Uani 1 1 d . . .
C3 C 0.79206(15) 0.0845(2) 0.82558(13) 0.0718(12) Uani 1 1 d . . .
H3A H 0.7853 0.0334 0.8120 0.108 Uiso 1 1 calc R . .
H3B H 0.8299 0.1055 0.8139 0.108 Uiso 1 1 calc R . .
H3C H 0.7500 0.1122 0.8056 0.108 Uiso 1 1 calc R . .
C4 C 0.89597(15) 0.0383(2) 0.95075(15) 0.0759(13) Uani 1 1 d . . .
H4A H 0.8904 -0.0131 0.9380 0.114 Uiso 1 1 calc R . .
H4B H 0.9076 0.0415 0.9960 0.114 Uiso 1 1 calc R . .
H4C H 0.9328 0.0603 0.9382 0.114 Uiso 1 1 calc R . .
C11 C 0.74161(14) 0.05241(16) 0.93851(13) 0.0525(10) Uani 1 1 d . . .
C12 C 0.74606(14) 0.04876(16) 1.00343(14) 0.0574(10) Uani 1 1 d . . .
H12B H 0.7892 0.0587 1.0385 0.069 Uiso 1 1 calc R . .
C13 C 0.68664(14) 0.01772(17) 1.01153(14) 0.0571(10) Uani 1 1 d . . .
C14 C 0.57803(16) -0.04398(18) 0.93121(16) 0.0717(12) Uani 1 1 d . . .
H14B H 0.5560 -0.0578 0.9602 0.086 Uiso 1 1 calc R . .
C15 C 0.54948(16) -0.06125(19) 0.86950(17) 0.0812(13) Uani 1 1 d . . .
H15B H 0.5080 -0.0884 0.8565 0.097 Uiso 1 1 calc R . .
C16 C 0.58033(16) -0.03965(18) 0.82382(17) 0.0770(13) Uani 1 1 d . . .
H16B H 0.5583 -0.0513 0.7814 0.092 Uiso 1 1 calc R . .
C17 C 0.64230(16) -0.00168(17) 0.84149(15) 0.0652(11) Uani 1 1 d . . .
H17B H 0.6627 0.0118 0.8112 0.078 Uiso 1 1 calc R . .
C18 C 0.67532(14) 0.01700(15) 0.90548(13) 0.0495(10) Uani 1 1 d . . .
C19 C 0.64242(14) -0.00424(16) 0.95153(15) 0.0577(10) Uani 1 1 d . . .
C20 C 0.67311(16) 0.01007(19) 1.07335(14) 0.0735(12) Uani 1 1 d . . .
H20C H 0.7174 0.0117 1.1076 0.088 Uiso 1 1 calc R . .
H20D H 0.6519 -0.0382 1.0748 0.088 Uiso 1 1 calc R . .
C21 C 0.62515(15) 0.0711(2) 1.08386(15) 0.0778(12) Uani 1 1 d . . .
H21B H 0.5776 0.0613 1.0568 0.093 Uiso 1 1 calc R . .
H21C H 0.6257 0.0688 1.1275 0.093 Uiso 1 1 calc R . .
C22 C 0.71180(17) 0.1684(3) 1.11422(16) 0.1008(16) Uani 1 1 d . . .
H22D H 0.7098 0.1659 1.1566 0.151 Uiso 1 1 calc R . .
H22E H 0.7235 0.2183 1.1055 0.151 Uiso 1 1 calc R . .
H22F H 0.7468 0.1344 1.1100 0.151 Uiso 1 1 calc R . .
C23 C 0.59091(16) 0.1971(2) 1.08097(14) 0.0801(13) Uani 1 1 d . . .
H23D H 0.5922 0.1928 1.1242 0.120 Uiso 1 1 calc R . .
H23E H 0.5457 0.1820 1.0533 0.120 Uiso 1 1 calc R . .
H23F H 0.5995 0.2480 1.0722 0.120 Uiso 1 1 calc R . .
N1 N 0.64547(11) 0.14844(14) 1.07048(10) 0.0528(8) Uani 1 1 d . . .
N2 N 0.39922(13) 0.15057(15) 0.76672(12) 0.0655(9) Uani 1 1 d . . .
B3 B 0.83611(17) 0.2155(2) 1.01528(17) 0.0618(13) Uani 1 1 d . . .
H3 H 0.8396 0.1747 1.0530 0.074 Uiso 1 1 calc R . .
B4 B 0.79338(18) 0.3012(2) 1.01198(18) 0.0617(13) Uani 1 1 d . . .
H4 H 0.7693 0.3174 1.0478 0.074 Uiso 1 1 calc R . .
B5 B 0.75585(18) 0.3248(2) 0.93241(18) 0.0607(13) Uani 1 1 d . . .
H5 H 0.7069 0.3570 0.9153 0.073 Uiso 1 1 calc R . .
B6 B 0.77362(17) 0.2512(2) 0.88578(17) 0.0646(13) Uani 1 1 d . . .
H6 H 0.7364 0.2347 0.8396 0.078 Uiso 1 1 calc R . .
B7 B 0.90517(18) 0.2268(2) 0.98251(19) 0.0714(15) Uani 1 1 d . . .
H7 H 0.9541 0.1945 0.9990 0.086 Uiso 1 1 calc R . .
B8 B 0.88551(19) 0.2981(3) 1.0299(2) 0.0785(16) Uani 1 1 d . . .
H8 H 0.9216 0.3120 1.0773 0.094 Uiso 1 1 calc R . .
B9 B 0.8349(2) 0.3684(2) 0.9773(2) 0.0737(15) Uani 1 1 d . . .
H9 H 0.8375 0.4280 0.9898 0.088 Uiso 1 1 calc R . .
B10 B 0.82513(18) 0.3368(2) 0.89965(19) 0.0719(14) Uani 1 1 d . . .
H10 H 0.8220 0.3767 0.8614 0.086 Uiso 1 1 calc R . .
B11 B 0.86680(17) 0.2491(2) 0.90189(19) 0.0708(14) Uani 1 1 d . . .
H11 H 0.8898 0.2316 0.8657 0.085 Uiso 1 1 calc R . .
B12 B 0.9042(2) 0.3213(3) 0.9593(2) 0.0837(16) Uani 1 1 d . . .
H12 H 0.9524 0.3510 0.9608 0.100 Uiso 1 1 calc R . .
B23 B 0.4346(2) 0.3949(2) 0.71182(17) 0.0673(14) Uani 1 1 d . . .
H23 H 0.3817 0.3705 0.6955 0.081 Uiso 1 1 calc R . .
B24 B 0.5062(2) 0.3475(3) 0.70133(18) 0.0747(15) Uani 1 1 d . . .
H24 H 0.5012 0.2928 0.6779 0.090 Uiso 1 1 calc R . .
B25 B 0.57915(18) 0.3720(2) 0.76656(18) 0.0718(14) Uani 1 1 d . . .
H25 H 0.6227 0.3327 0.7858 0.086 Uiso 1 1 calc R . .
B26 B 0.55180(18) 0.4301(2) 0.81665(18) 0.0631(14) Uani 1 1 d . . .
H26 H 0.5755 0.4285 0.8685 0.076 Uiso 1 1 calc R . .
B27 B 0.4483(2) 0.4935(2) 0.70832(18) 0.0726(15) Uani 1 1 d . . .
H27 H 0.4051 0.5333 0.6895 0.087 Uiso 1 1 calc R . .
B28 B 0.4753(2) 0.4324(3) 0.65868(19) 0.0850(17) Uani 1 1 d . . .
H28 H 0.4496 0.4323 0.6070 0.102 Uiso 1 1 calc R . .
B29 B 0.5653(2) 0.4178(2) 0.69256(19) 0.0803(15) Uani 1 1 d . . .
H29 H 0.5990 0.4089 0.6631 0.096 Uiso 1 1 calc R . .
B30 B 0.59592(19) 0.4680(2) 0.76598(18) 0.0728(14) Uani 1 1 d . . .
H30 H 0.6492 0.4910 0.7847 0.087 Uiso 1 1 calc R . .
B31 B 0.52229(19) 0.5164(2) 0.77431(18) 0.0645(14) Uani 1 1 d . . .
H31 H 0.5279 0.5707 0.7984 0.077 Uiso 1 1 calc R . .
B32 B 0.5289(2) 0.5060(3) 0.69670(19) 0.0817(16) Uani 1 1 d . . .
H32 H 0.5386 0.5540 0.6700 0.098 Uiso 1 1 calc R . .
Li1 Li 0.7983(4) -0.3156(4) 0.9328(4) 0.104(3) Uani 1 1 d . . .
C31 C 0.7003(2) -0.4456(3) 0.9345(2) 0.140(2) Uani 1 1 d . . .
H31A H 0.6583 -0.4256 0.9037 0.168 Uiso 1 1 calc R . .
H31B H 0.7235 -0.4779 0.9126 0.168 Uiso 1 1 calc R . .
C32 C 0.6825(2) -0.4866(3) 0.9819(2) 0.130(2) Uani 1 1 d . . .
H32A H 0.6861 -0.5398 0.9755 0.156 Uiso 1 1 calc R . .
H32B H 0.6349 -0.4753 0.9802 0.156 Uiso 1 1 calc R . .
C33 C 0.7326(2) -0.4636(3) 1.0436(2) 0.127(2) Uani 1 1 d . . .
H33A H 0.7726 -0.4969 1.0571 0.153 Uiso 1 1 calc R . .
H33B H 0.7105 -0.4615 1.0763 0.153 Uiso 1 1 calc R . .
C34 C 0.7532(2) -0.3872(2) 1.0279(2) 0.1155(19) Uani 1 1 d . . .
H34A H 0.7231 -0.3497 1.0371 0.139 Uiso 1 1 calc R . .
H34B H 0.8011 -0.3765 1.0534 0.139 Uiso 1 1 calc R . .
C41 C 0.90856(19) -0.2163(3) 1.0161(2) 0.163(3) Uani 1 1 d D . .
H41A H 0.9234 -0.2040 0.9800 0.196 Uiso 1 1 calc R . .
H41B H 0.9393 -0.2549 1.0406 0.196 Uiso 1 1 calc R . .
C42 C 0.9117(2) -0.1495(2) 1.0555(3) 0.172(3) Uani 1 1 d D . .
H42A H 0.9277 -0.1066 1.0375 0.206 Uiso 1 1 calc R . .
H42B H 0.9434 -0.1575 1.0982 0.206 Uiso 1 1 calc R . .
C43 C 0.8384(2) -0.1375(2) 1.0561(2) 0.181(3) Uani 1 1 d D . .
H43A H 0.8367 -0.1408 1.0990 0.217 Uiso 1 1 calc R . .
H43B H 0.8215 -0.0886 1.0392 0.217 Uiso 1 1 calc R . .
C44 C 0.7970(2) -0.1941(3) 1.0178(3) 0.246(3) Uani 1 1 d D . .
H44A H 0.7611 -0.1717 0.9823 0.296 Uiso 1 1 calc R . .
H44B H 0.7740 -0.2227 1.0423 0.296 Uiso 1 1 calc R . .
C51 C 0.9113(3) -0.4236(4) 0.94467(18) 0.232(4) Uani 1 1 d D B .
H51A H 0.8864 -0.4600 0.9614 0.279 Uiso 1 1 calc R . .
H51B H 0.9448 -0.3979 0.9798 0.279 Uiso 1 1 calc R . .
C52 C 0.9490(2) -0.4621(3) 0.9025(2) 0.255(3) Uani 1 1 d D . .
H52A H 0.9979 -0.4714 0.9260 0.306 Uiso 0.50 1 calc PR A 1
H52B H 0.9265 -0.5090 0.8856 0.306 Uiso 0.50 1 calc PR A 1
C53 C 0.9417(3) -0.4073(4) 0.8518(2) 0.170(5) Uiso 0.50 1 d PD B 1
H53A H 0.9865 -0.3842 0.8563 0.204 Uiso 0.50 1 calc PR B 1
H53B H 0.9248 -0.4315 0.8106 0.204 Uiso 0.50 1 calc PR B 1
H52C H 0.9865 -0.3842 0.8563 0.204 Uiso 0.50 1 calc PR B 2
H52D H 0.9248 -0.4315 0.8106 0.204 Uiso 0.50 1 calc PR B 2
C53' C 0.8899(5) -0.4376(4) 0.8387(3) 0.155(4) Uiso 0.50 1 d PD B 2
H53C H 0.8450 -0.4609 0.8336 0.186 Uiso 0.50 1 calc PR B 2
H53D H 0.9034 -0.4460 0.8013 0.186 Uiso 0.50 1 calc PR B 2
C54 C 0.8916(3) -0.3516(3) 0.8574(3) 0.356(6) Uani 1 1 d D . .
H54A H 0.9144 -0.3034 0.8674 0.427 Uiso 1 1 calc R B 1
H54B H 0.8537 -0.3473 0.8175 0.427 Uiso 1 1 calc R B 1
C61 C 0.7833(3) -0.2145(4) 0.8323(4) 0.442(7) Uani 1 1 d D . .
H61A H 0.8175 -0.1876 0.8661 0.530 Uiso 1 1 calc R . .
H61B H 0.8076 -0.2410 0.8077 0.530 Uiso 1 1 calc R . .
C62 C 0.7328(3) -0.1638(3) 0.7926(2) 0.207(4) Uani 1 1 d D . .
H62A H 0.7440 -0.1523 0.7545 0.249 Uiso 1 1 calc R . .
H62B H 0.7315 -0.1177 0.8150 0.249 Uiso 1 1 calc R . .
C63 C 0.6646(3) -0.2037(3) 0.7767(3) 0.271(5) Uani 1 1 d D . .
H63A H 0.6513 -0.2236 0.7340 0.325 Uiso 1 1 calc R . .
H63B H 0.6282 -0.1701 0.7798 0.325 Uiso 1 1 calc R . .
C64 C 0.6754(3) -0.2662(3) 0.8244(3) 0.234(4) Uani 1 1 d D . .
H64A H 0.6476 -0.2577 0.8520 0.281 Uiso 1 1 calc R . .
H64B H 0.6617 -0.3136 0.8029 0.281 Uiso 1 1 calc R . .
O1 O 0.74681(13) -0.38489(17) 0.96577(12) 0.1093(11) Uani 1 1 d . . .
O2 O 0.83883(12) -0.24157(15) 0.99523(15) 0.1373(13) Uani 1 1 d D . .
O3 O 0.86499(14) -0.3733(2) 0.90567(12) 0.1412(14) Uani 1 1 d D B .
O4 O 0.74427(19) -0.2666(2) 0.8583(2) 0.249(2) Uani 1 1 d D . .
O5 O 0.3846(2) 0.8735(2) 0.6927(2) 0.302(3) Uiso 1 1 d D . .
C71 C 0.3733(3) 0.8091(4) 0.7263(4) 0.184(5) Uiso 0.50 1 d PD . .
C71' C 0.3710(3) 0.8080(4) 0.7237(4) 0.155(5) Uiso 0.50 1 d PD . .
C72 C 0.4316(3) 0.7527(2) 0.7317(3) 0.229(3) Uiso 1 1 d D . .
C73 C 0.4772(2) 0.7898(2) 0.6959(2) 0.173(2) Uiso 1 1 d D . .
C74 C 0.4462(4) 0.8650(4) 0.6699(4) 0.189(5) Uiso 0.50 1 d PD . .
C74' C 0.4497(4) 0.8644(4) 0.6727(4) 0.165(5) Uiso 0.50 1 d PD . .
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
Sm1 C1 2.623(3) . ?
Sm1 N1 2.659(2) . ?
Sm1 C12 2.695(3) . ?
Sm1 C11 2.701(3) . ?
Sm1 C13 2.758(3) . ?
Sm1 Cl3 2.7681(7) . ?
Sm1 C18 2.781(3) . ?
Sm1 Cl1 2.7955(8) . ?
Sm1 Cl2 2.8242(7) . ?
Sm1 C19 2.829(3) . ?
Sm1 Sm2 3.9325(2) . ?
Sm2 C1' 2.630(3) . ?
Sm2 N2 2.670(2) . ?
Sm2 C12' 2.679(3) . ?
Sm2 C11' 2.704(3) . ?
Sm2 Cl1 2.7610(6) . ?
Sm2 C13' 2.766(3) . ?
Sm2 Cl3 2.7809(8) . ?
Sm2 C18' 2.806(3) . ?
Sm2 Cl2 2.8287(7) . ?
Sm2 C19' 2.850(3) . ?
Si1 C3 1.845(3) . ?
Si1 C11 1.845(3) . ?
Si1 C4 1.848(3) . ?
Si1 C2 1.890(3) . ?
Si2 C11' 1.831(3) . ?
Si2 C3' 1.867(3) . ?
Si2 C4' 1.870(3) . ?
Si2 C2' 1.872(4) . ?
C1' B23 1.705(4) . ?
C1' B25 1.715(5) . ?
C1' B24 1.720(5) . ?
C1' B26 1.726(5) . ?
C1' C2' 1.731(4) . ?
C2' B23 1.703(5) . ?
C2' B26 1.718(4) . ?
C2' B27 1.726(5) . ?
C2' B31 1.739(5) . ?
C11' C12' 1.440(4) . ?
C11' C18' 1.441(4) . ?
C12' C13' 1.402(4) . ?
C13' C19' 1.429(4) . ?
C13' C20' 1.470(4) . ?
C14' C15' 1.352(4) . ?
C14' C19' 1.406(5) . ?
C15' C16' 1.412(5) . ?
C16' C17' 1.368(5) . ?
C17' C18' 1.417(4) . ?
C18' C19' 1.460(4) . ?
C20' C21' 1.478(6) . ?
C21' N2 1.430(5) . ?
C22' N2 1.441(4) . ?
C23' N2 1.482(5) . ?
C1 B5 1.711(5) . ?
C1 B4 1.714(5) . ?
C1 B3 1.722(4) . ?
C1 B6 1.724(5) . ?
C1 C2 1.735(4) . ?
C2 B11 1.700(5) . ?
C2 B6 1.707(4) . ?
C2 B7 1.709(4) . ?
C2 B3 1.722(5) . ?
C11 C12 1.423(4) . ?
C11 C18 1.448(4) . ?
C12 C13 1.386(4) . ?
C13 C19 1.403(4) . ?
C13 C20 1.496(5) . ?
C14 C15 1.344(5) . ?
C14 C19 1.421(4) . ?
C15 C16 1.410(6) . ?
C16 C17 1.365(4) . ?
C17 C18 1.406(4) . ?
C18 C19 1.443(5) . ?
C20 C21 1.528(5) . ?
C21 N1 1.502(4) . ?
C22 N1 1.423(4) . ?
C23 N1 1.481(4) . ?
B3 B4 1.751(6) . ?
B3 B8 1.755(6) . ?
B3 B7 1.783(6) . ?
B4 B5 1.740(5) . ?
B4 B8 1.772(5) . ?
B4 B9 1.779(6) . ?
B5 B9 1.767(5) . ?
B5 B10 1.788(6) . ?
B5 B6 1.786(6) . ?
B6 B11 1.797(5) . ?
B6 B10 1.822(6) . ?
B7 B11 1.757(6) . ?
B7 B12 1.767(6) . ?
B7 B8 1.783(7) . ?
B8 B12 1.783(7) . ?
B8 B9 1.797(6) . ?
B9 B10 1.772(6) . ?
B9 B12 1.789(6) . ?
B10 B12 1.738(5) . ?
B10 B11 1.774(6) . ?
B11 B12 1.804(6) . ?
B23 B24 1.757(6) . ?
B23 B28 1.779(7) . ?
B23 B27 1.792(6) . ?
B24 B25 1.757(5) . ?
B24 B29 1.789(6) . ?
B24 B28 1.794(6) . ?
B25 B26 1.743(6) . ?
B25 B30 1.754(6) . ?
B25 B29 1.782(6) . ?
B26 B30 1.784(6) . ?
B26 B31 1.807(5) . ?
B27 B32 1.742(6) . ?
B27 B28 1.764(7) . ?
B27 B31 1.771(5) . ?
B28 B29 1.745(6) . ?
B28 B32 1.741(6) . ?
B29 B32 1.756(6) . ?
B29 B30 1.793(6) . ?
B30 B31 1.781(6) . ?
B30 B32 1.824(5) . ?
B31 B32 1.788(6) . ?
Li1 O4 1.883(8) . ?
Li1 O2 1.905(8) . ?
Li1 O1 1.913(9) . ?
Li1 O3 1.943(9) . ?
C31 C32 1.424(7) . ?
C31 O1 1.458(5) . ?
C32 C33 1.479(6) . ?
C33 C34 1.505(6) . ?
C34 O1 1.349(5) . ?
C41 O2 1.407(4) . ?
C41 C42 1.474(6) . ?
C42 C43 1.501(6) . ?
C43 C44 1.412(6) . ?
C44 O2 1.402(6) . ?
C51 O3 1.383(6) . ?
C51 C52 1.551(7) . ?
C52 C53 1.468(7) . ?
C52 C53' 1.594(7) . ?
C53 C54 1.453(8) . ?
C53' C54 1.593(8) . ?
C54 O3 1.405(7) . ?
C61 C62 1.435(7) . ?
C61 O4 1.457(8) . ?
C62 C63 1.488(7) . ?
C63 C64 1.510(8) . ?
C64 O4 1.350(6) . ?
O5 C74 1.497(9) . ?
O5 C71 1.433(9) . ?
O5 C71' 1.432(8) . ?
O5 C74' 1.528(9) . ?
C71 C72 1.526(8) . ?
C71' C72 1.539(8) . ?
C72 C73 1.550(7) . ?
C73 C74' 1.474(7) . ?
C73 C74 1.518(7) . ?
