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#$Date: 2016-03-21 06:37:37 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178525 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/29/4062938.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_4062938
_journal_name_full               Organometallics
_journal_paper_doi               10.1021/om049778+
_journal_year                    2004
_chemical_formula_sum            'C57 H102 B20 Cl3 Li N2 O4 Si2 Yb2'
_chemical_formula_weight         1611.16
_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                 109.54(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.041(4)
_cell_length_b                   17.837(4)
_cell_length_c                   22.468(5)
_cell_measurement_temperature    293(2)
_cell_volume                     7569(3)
_diffrn_ambient_temperature      293(2)
_exptl_crystal_density_diffrn    1.414
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4062938
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
Yb1 Yb 0.647879(13) -0.655005(17) 1.449741(13) 0.06222(10) Uani 1 1 d . . .
Yb2 Yb 0.478071(14) -0.749905(17) 1.347180(14) 0.06370(11) Uani 1 1 d . . .
Si1 Si 0.81059(10) -0.58936(13) 1.41126(10) 0.0756(6) Uani 1 1 d . . .
Si2 Si 0.41040(11) -0.95411(12) 1.32969(11) 0.0773(7) Uani 1 1 d . . .
Cl1 Cl 0.58838(9) -0.68163(11) 1.32589(8) 0.0738(5) Uani 1 1 d . . .
Cl2 Cl 0.50744(8) -0.62819(10) 1.42590(8) 0.0700(5) Uani 1 1 d . . .
Cl3 Cl 0.58810(8) -0.79252(10) 1.44556(8) 0.0691(5) Uani 1 1 d . . .
N1 N 0.6492(3) -0.6561(4) 1.5658(3) 0.081(2) Uani 1 1 d . . .
N2 N 0.4040(3) -0.6491(3) 1.2660(3) 0.084(2) Uani 1 1 d . . .
C1 C 0.7557(3) -0.7353(5) 1.4543(3) 0.074(2) Uani 1 1 d . . .
C2 C 0.8233(3) -0.6923(4) 1.4379(3) 0.069(2) Uani 1 1 d . . .
C3 C 0.7909(4) -0.5840(5) 1.3253(4) 0.097(3) Uani 1 1 d . . .
H3A H 0.7844 -0.5325 1.3121 0.145 Uiso 1 1 calc R . .
H3B H 0.7483 -0.6116 1.3043 0.145 Uiso 1 1 calc R . .
H3C H 0.8295 -0.6051 1.3146 0.145 Uiso 1 1 calc R . .
C4 C 0.8946(4) -0.5359(5) 1.4519(4) 0.096(3) Uani 1 1 d . . .
H4A H 0.8885 -0.4844 1.4388 0.143 Uiso 1 1 calc R . .
H4B H 0.9328 -0.5573 1.4407 0.143 Uiso 1 1 calc R . .
H4C H 0.9055 -0.5388 1.4968 0.143 Uiso 1 1 calc R . .
C5 C 0.6671(4) -0.5144(5) 1.5692(4) 0.097(3) Uani 1 1 d . . .
H5A H 0.6418 -0.4682 1.5697 0.116 Uiso 1 1 calc R . .
H5B H 0.7122 -0.5122 1.6033 0.116 Uiso 1 1 calc R . .
C6 C 0.6235(4) -0.5819(6) 1.5802(4) 0.102(3) Uani 1 1 d . . .
H6A H 0.6254 -0.5816 1.6239 0.123 Uiso 1 1 calc R . .
H6B H 0.5744 -0.5755 1.5539 0.123 Uiso 1 1 calc R . .
C7 C 0.5957(4) -0.7056(5) 1.5766(4) 0.100(3) Uani 1 1 d . . .
H7A H 0.5990 -0.7030 1.6201 0.150 Uiso 1 1 calc R . .
H7B H 0.6039 -0.7563 1.5663 0.150 Uiso 1 1 calc R . .
H7C H 0.5494 -0.6900 1.5504 0.150 Uiso 1 1 calc R . .
C8 C 0.7169(5) -0.6715(7) 1.6117(4) 0.121(4) Uani 1 1 d . . .
H8A H 0.7132 -0.6708 1.6532 0.181 Uiso 1 1 calc R . .
H8B H 0.7502 -0.6341 1.6090 0.181 Uiso 1 1 calc R . .
H8C H 0.7329 -0.7200 1.6037 0.181 Uiso 1 1 calc R . .
C11 C 0.7370(4) -0.5554(4) 1.4353(4) 0.078(2) Uani 1 1 d . . .
C12 C 0.7417(3) -0.5521(4) 1.5006(3) 0.072(2) Uani 1 1 d . . .
H12A H 0.7854 -0.5615 1.5359 0.086 Uiso 1 1 calc R . .
C13 C 0.6799(4) -0.5211(4) 1.5078(3) 0.077(2) Uani 1 1 d . . .
C14 C 0.5703(4) -0.4558(5) 1.4257(5) 0.106(3) Uani 1 1 d . . .
H14A H 0.5470 -0.4416 1.4534 0.128 Uiso 1 1 calc R . .
C15 C 0.5454(4) -0.4391(5) 1.3671(4) 0.101(3) Uani 1 1 d . . .
H15A H 0.5025 -0.4135 1.3532 0.121 Uiso 1 1 calc R . .
C16 C 0.5769(5) -0.4558(5) 1.3229(4) 0.099(3) Uani 1 1 d . . .
H16A H 0.5564 -0.4378 1.2819 0.119 Uiso 1 1 calc R . .
C17 C 0.6372(4) -0.4979(5) 1.3370(4) 0.084(3) Uani 1 1 d . . .
H17A H 0.6551 -0.5143 1.3060 0.100 Uiso 1 1 calc R . .
C18 C 0.6717(3) -0.5155(4) 1.4038(3) 0.068(2) Uani 1 1 d . . .
C19 C 0.6365(3) -0.4977(4) 1.4477(3) 0.073(2) Uani 1 1 d . . .
C21 C 0.5030(4) -0.8511(4) 1.2786(3) 0.075(2) Uani 1 1 d . . .
C22 C 0.4667(4) -0.9401(4) 1.2773(4) 0.075(2) Uani 1 1 d . . .
C23 C 0.3231(4) -0.9946(6) 1.2784(5) 0.117(4) Uani 1 1 d . . .
H23A H 0.2928 -1.0019 1.3033 0.176 Uiso 1 1 calc R . .
H23B H 0.3311 -1.0419 1.2615 0.176 Uiso 1 1 calc R . .
H23C H 0.3009 -0.9607 1.2444 0.176 Uiso 1 1 calc R . .
C24 C 0.4553(5) -1.0162(5) 1.3954(5) 0.122(3) Uani 1 1 d . . .
H24A H 0.4993 -0.9940 1.4205 0.184 Uiso 1 1 calc R . .
H24B H 0.4642 -1.0636 1.3793 0.184 Uiso 1 1 calc R . .
H24C H 0.4259 -1.0236 1.4210 0.184 Uiso 1 1 calc R . .
C25 C 0.3043(4) -0.6734(5) 1.3057(5) 0.104(3) Uani 1 1 d . . .
H25A H 0.2564 -0.6646 1.2984 0.125 Uiso 1 1 calc R . .
C26 C 0.3461(5) -0.6230(8) 1.2837(6) 0.219(5) Uani 1 1 d . . .
H26A H 0.3354 -0.5721 1.2807 0.263 Uiso 1 1 calc R . .
C27 C 0.3816(10) -0.6785(8) 1.2007(5) 0.200(8) Uani 1 1 d . . .
H27A H 0.3550 -0.6408 1.1720 0.300 Uiso 1 1 calc R . .
H27B H 0.3526 -0.7221 1.1977 0.300 Uiso 1 1 calc R . .
H27C H 0.4226 -0.6916 1.1900 0.300 Uiso 1 1 calc R . .
C28 C 0.4463(7) -0.5799(6) 1.2668(6) 0.154(5) Uani 1 1 d . . .
H28A H 0.4177 -0.5443 1.2370 0.230 Uiso 1 1 calc R . .
H28B H 0.4870 -0.5926 1.2555 0.230 Uiso 1 1 calc R . .
H28C H 0.4613 -0.5584 1.3083 0.230 Uiso 1 1 calc R . .
C31 C 0.3951(3) -0.8575(4) 1.3562(4) 0.069(2) Uani 1 1 d . . .
C32 C 0.3525(3) -0.8067(4) 1.3134(4) 0.071(2) Uani 1 1 d . . .
H32A H 0.3263 -0.8202 1.2695 0.085 Uiso 1 1 calc R . .
C33 C 0.3401(3) -0.7394(4) 1.3405(4) 0.080(3) Uani 1 1 d . . .
C34 C 0.3764(3) -0.7097(4) 1.4605(4) 0.086(2) Uani 1 1 d . . .
H34A H 0.3565 -0.6621 1.4545 0.103 Uiso 1 1 calc R . .
C35 C 0.4065(4) -0.7356(5) 1.5197(4) 0.095(3) Uani 1 1 d . . .
H35A H 0.4065 -0.7074 1.5545 0.114 Uiso 1 1 calc R . .
C36 C 0.4391(4) -0.8097(5) 1.5273(4) 0.087(3) Uani 1 1 d . . .
H36A H 0.4596 -0.8292 1.5678 0.104 Uiso 1 1 calc R . .
C37 C 0.4403(4) -0.8495(4) 1.4784(4) 0.084(3) Uani 1 1 d . . .
H37A H 0.4642 -0.8951 1.4852 0.101 Uiso 1 1 calc R . .
C38 C 0.4066(3) -0.8253(4) 1.4169(4) 0.072(2) Uani 1 1 d . . .
C39 C 0.3744(4) -0.7527(4) 1.4074(4) 0.073(2) Uani 1 1 d . . .
C41 C 0.8331(5) 0.2640(6) 1.1757(5) 0.210(9) Uani 1 1 d D D .
H41A H 0.8444 0.3127 1.1956 0.252 Uiso 1 1 calc R . .
H41B H 0.8666 0.2525 1.1543 0.252 Uiso 1 1 calc R . .
C42 C 0.8348(4) 0.2042(7) 1.2240(5) 0.212(7) Uiso 1 1 d D D .
H42A H 0.8686 0.1653 1.2238 0.254 Uiso 1 1 calc R . .
H42B H 0.8485 0.2259 1.2660 0.254 Uiso 1 1 calc R . .
C43 C 0.7614(5) 0.1718(5) 1.2063(5) 0.202(7) Uiso 1 1 d D . .
H43A H 0.7465 0.1676 1.2430 0.242 Uiso 0.50 1 calc PR A 1
H43B H 0.7596 0.1225 1.1875 0.242 Uiso 0.50 1 calc PR A 1
H43C H 0.0000 0.0000 0.0000 0.242 Uiso 1 2 d S B 2
H43D H 0.0000 0.0000 0.0000 0.242 Uiso 1 2 d S C 2
C44 C 0.7145(5) 0.2271(9) 1.1585(8) 0.28(2) Uiso 0.50 1 d PD D 1
H44A H 0.6775 0.2014 1.1257 0.331 Uiso 0.50 1 calc PR D 1
H44B H 0.6932 0.2633 1.1790 0.331 Uiso 0.50 1 calc PR D 1
C44' C 0.7534(16) 0.1839(17) 1.1338(13) 0.179(12) Uiso 0.50 1 d P D 2
H44C H 0.7893 0.1567 1.1224 0.215 Uiso 0.50 1 calc PR D 2
H44D H 0.7068 0.1694 1.1059 0.215 Uiso 0.50 1 calc PR D 2
C51 C 0.6135(7) 0.3507(5) 1.1431(5) 0.337(15) Uiso 1 1 d D D .
H51A H 0.6502 0.3257 1.1768 0.404 Uiso 1 1 calc R . .
H51B H 0.5715 0.3195 1.1293 0.404 Uiso 1 1 calc R . .
C52 C 0.5972(7) 0.4303(6) 1.1629(4) 0.257(10) Uiso 1 1 d D . .
H52A H 0.5665 0.4280 1.1883 0.308 Uiso 1 1 calc R . .
H52B H 0.6403 0.4569 1.1861 0.308 Uiso 1 1 calc R . .
C53 C 0.5603(6) 0.4662(6) 1.0993(5) 0.289(11) Uiso 1 1 d D . .
H53A H 0.5699 0.5196 1.1007 0.347 Uiso 1 1 calc R . .
H53B H 0.5095 0.4586 1.0864 0.347 Uiso 1 1 calc R . .
C54 C 0.5912(6) 0.4266(7) 1.0542(4) 0.235(9) Uiso 1 1 d D D .
H54A H 0.5540 0.4038 1.0195 0.282 Uiso 1 1 calc R . .
H54B H 0.6170 0.4617 1.0370 0.282 Uiso 1 1 calc R . .
C61 C 0.8000(6) 0.4466(6) 1.0591(5) 0.135(5) Uani 1 1 d . D .
H61A H 0.8418 0.4261 1.0907 0.162 Uiso 1 1 calc R . .
H61B H 0.7762 0.4786 1.0805 0.162 Uiso 1 1 calc R . .
C62 C 0.8210(6) 0.4901(7) 1.0157(5) 0.137(4) Uani 1 1 d . . .
H62A H 0.8690 0.4783 1.0178 0.164 Uiso 1 1 calc R . .
H62B H 0.8176 0.5433 1.0231 0.164 Uiso 1 1 calc R . .
C63 C 0.7664(6) 0.4659(7) 0.9513(5) 0.140(4) Uani 1 1 d . . .
H63A H 0.7867 0.4666 0.9176 0.167 Uiso 1 1 calc R . .
H63B H 0.7241 0.4967 0.9396 0.167 Uiso 1 1 calc R . .
C64 C 0.7517(6) 0.3839(7) 0.9692(6) 0.142(5) Uani 1 1 d . D .
H64A H 0.7053 0.3671 0.9428 0.171 Uiso 1 1 calc R . .
H64B H 0.7871 0.3495 0.9645 0.171 Uiso 1 1 calc R . .
C71 C 0.7054(9) 0.1872(12) 0.9776(8) 0.219(8) Uiso 1 1 d . D .
H71A H 0.7280 0.2125 0.9512 0.263 Uiso 1 1 calc R . .
H71B H 0.7416 0.1646 1.0132 0.263 Uiso 1 1 calc R . .
C72 C 0.6582(7) 0.1334(9) 0.9434(8) 0.199(7) Uani 1 1 d . . .
H72A H 0.6741 0.0844 0.9613 0.239 Uiso 1 1 calc R . .
H72B H 0.6584 0.1335 0.9003 0.239 Uiso 1 1 calc R . .
C73 C 0.5876(7) 0.1452(6) 0.9427(8) 0.165(7) Uani 1 1 d . . .
H73A H 0.5703 0.1015 0.9588 0.198 Uiso 1 1 calc R . .
H73B H 0.5562 0.1555 0.9002 0.198 Uiso 1 1 calc R . .
C74 C 0.5922(5) 0.2108(9) 0.9843(7) 0.161(6) Uani 1 1 d . D .
H74A H 0.5569 0.2476 0.9627 0.194 Uiso 1 1 calc R . .
H74B H 0.5831 0.1952 1.0222 0.194 Uiso 1 1 calc R . .
B3 B 0.7720(4) -0.7547(5) 1.3857(4) 0.071(3) Uani 1 1 d . . .
H3 H 0.7350 -0.7380 1.3392 0.085 Uiso 1 1 calc R . .
B4 B 0.7521(5) -0.8271(5) 1.4299(5) 0.084(3) Uani 1 1 d . . .
H4 H 0.7022 -0.8588 1.4126 0.101 Uiso 1 1 calc R . .
B5 B 0.7907(5) -0.8044(6) 1.5078(5) 0.087(3) Uani 1 1 d . . .
H5 H 0.7661 -0.8230 1.5423 0.104 Uiso 1 1 calc R . .
B6 B 0.8327(4) -0.7155(6) 1.5149(4) 0.077(3) Uani 1 1 d . . .
H6 H 0.8347 -0.6754 1.5526 0.092 Uiso 1 1 calc R . .
B7 B 0.8657(5) -0.7529(5) 1.4032(5) 0.080(3) Uani 1 1 d . . .
H7 H 0.8903 -0.7362 1.3682 0.096 Uiso 1 1 calc R . .
B8 B 0.8205(5) -0.8404(6) 1.3962(5) 0.087(3) Uani 1 1 d . . .
H8 H 0.8156 -0.8801 1.3574 0.104 Uiso 1 1 calc R . .
B9 B 0.8327(5) -0.8699(7) 1.4757(5) 0.094(4) Uani 1 1 d . . .
H9 H 0.8360 -0.9295 1.4890 0.113 Uiso 1 1 calc R . .
B10 B 0.8860(5) -0.7979(6) 1.5278(5) 0.090(3) Uani 1 1 d . . .
H10 H 0.9242 -0.8102 1.5748 0.108 Uiso 1 1 calc R . .
B11 B 0.9048(4) -0.7272(7) 1.4821(5) 0.092(3) Uani 1 1 d . . .
H11 H 0.9537 -0.6939 1.4983 0.111 Uiso 1 1 calc R . .
B12 B 0.9028(5) -0.8224(6) 1.4589(5) 0.089(3) Uani 1 1 d . . .
H12 H 0.9515 -0.8525 1.4609 0.107 Uiso 1 1 calc R . .
B23 B 0.4371(5) -0.8874(6) 1.2127(4) 0.081(3) Uani 1 1 d . . .
H23 H 0.3836 -0.8628 1.1965 0.097 Uiso 1 1 calc R . .
B24 B 0.4509(5) -0.9852(6) 1.2073(4) 0.094(3) Uani 1 1 d . . .
H24 H 0.4066 -1.0243 1.1870 0.112 Uiso 1 1 calc R . .
B25 B 0.5243(5) -1.0100(5) 1.2721(5) 0.086(3) Uani 1 1 d . . .
H25 H 0.5299 -1.0648 1.2958 0.103 Uiso 1 1 calc R . .
B26 B 0.5550(4) -0.9261(5) 1.3177(5) 0.076(3) Uani 1 1 d . . .
H26 H 0.5789 -0.9270 1.3694 0.091 Uiso 1 1 calc R . .
B27 B 0.5081(5) -0.8408(6) 1.2040(5) 0.089(3) Uani 1 1 d . . .
H27 H 0.5016 -0.7854 1.1811 0.107 Uiso 1 1 calc R . .
B28 B 0.4780(6) -0.9225(7) 1.1606(5) 0.104(4) Uani 1 1 d . . .
H28 H 0.4525 -0.9196 1.1090 0.125 Uiso 1 1 calc R . .
B29 B 0.5303(5) -1.0026(8) 1.1972(5) 0.106(4) Uani 1 1 d . . .
H29 H 0.5386 -1.0522 1.1713 0.128 Uiso 1 1 calc R . .
B30 B 0.5957(5) -0.9634(6) 1.2629(5) 0.099(4) Uani 1 1 d . . .
H30 H 0.6490 -0.9883 1.2796 0.119 Uiso 1 1 calc R . .
B31 B 0.5852(5) -0.8641(7) 1.2688(4) 0.098(4) Uani 1 1 d . . .
H31 H 0.6300 -0.8255 1.2885 0.117 Uiso 1 1 calc R . .
B32 B 0.5691(5) -0.9101(7) 1.1938(5) 0.100(4) Uani 1 1 d . . .
H32 H 0.6034 -0.9002 1.1652 0.120 Uiso 1 1 calc R . .
O1 O 0.7638(4) 0.2626(6) 1.1335(4) 0.303(6) Uani 1 1 d D . .
O2 O 0.6377(3) 0.3708(5) 1.0912(3) 0.158(3) Uani 1 1 d D . .
O3 O 0.6600(4) 0.2425(4) 1.0005(5) 0.160(4) Uani 1 1 d . . .
O4 O 0.7554(3) 0.3886(4) 1.0301(3) 0.118(2) Uani 1 1 d . . .
Li1 Li 0.7042(9) 0.3140(10) 1.0608(8) 0.109(6) Uani 1 1 d . D .
C81 C 0.4275(5) -0.3663(5) 1.1763(4) 0.203(7) Uiso 1 1 d GD . .
C82 C 0.3710(5) -0.3661(6) 1.1991(5) 0.175(6) Uiso 1 1 d GD . .
H82A H 0.3409 -0.4072 1.1923 0.210 Uiso 1 1 calc R . .
C83 C 0.3596(7) -0.3043(8) 1.2322(6) 0.196(6) Uiso 1 1 d GD . .
H83A H 0.3219 -0.3042 1.2475 0.235 Uiso 1 1 calc R . .
C84 C 0.4047(9) -0.2428(6) 1.2425(6) 0.254(10) Uiso 1 1 d GD . .
H84A H 0.3971 -0.2015 1.2646 0.305 Uiso 1 1 calc R . .
C85 C 0.4612(8) -0.2431(5) 1.2197(6) 0.302(14) Uiso 1 1 d GD . .
H85A H 0.4913 -0.2020 1.2265 0.363 Uiso 1 1 calc R . .
C86 C 0.4726(5) -0.3049(6) 1.1866(5) 0.212(7) Uiso 1 1 d GD . .
H86A H 0.5103 -0.3050 1.1713 0.255 Uiso 1 1 calc R . .
C87 C 0.4620(9) -0.4142(11) 1.1412(8) 0.346(15) Uiso 1 1 d D . .
H87A H 0.4363 -0.4603 1.1296 0.518 Uiso 1 1 calc R . .
H87B H 0.5098 -0.4248 1.1675 0.518 Uiso 1 1 calc R . .
H87C H 0.4625 -0.3885 1.1038 0.518 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
Yb1 C1 2.565(7) . ?
Yb1 C12 2.602(7) . ?
Yb1 N1 2.600(6) . ?
Yb1 C11 2.616(7) . ?
Yb1 Cl1 2.6778(19) . ?
Yb1 C13 2.695(8) . ?
Yb1 Cl3 2.7176(19) . ?
Yb1 Cl2 2.7257(17) . ?
Yb1 C18 2.795(7) . ?
Yb1 C19 2.814(8) . ?
Yb1 Yb2 3.8093(12) . ?
Yb2 C21 2.529(8) . ?
Yb2 C32 2.580(6) . ?
Yb2 C31 2.591(7) . ?
Yb2 N2 2.637(6) . ?
Yb2 Cl3 2.6582(18) . ?
Yb2 Cl1 2.703(2) . ?
Yb2 C33 2.724(7) . ?
Yb2 Cl2 2.7371(19) . ?
Yb2 C38 2.795(8) . ?
Yb2 C39 2.833(9) . ?
Si1 C11 1.833(8) . ?
Si1 C3 1.840(9) . ?
Si1 C4 1.884(8) . ?
Si1 C2 1.922(8) . ?
Si2 C24 1.823(9) . ?
Si2 C31 1.881(7) . ?
Si2 C23 1.887(8) . ?
Si2 C22 1.900(9) . ?
N1 C8 1.431(10) . ?
N1 C7 1.469(11) . ?
N1 C6 1.495(12) . ?
N2 C26 1.422(14) . ?
N2 C27 1.480(13) . ?
N2 C28 1.494(13) . ?
C1 C2 1.699(10) . ?
C1 B5 1.701(12) . ?
C1 B3 1.715(12) . ?
C1 B6 1.719(10) . ?
C1 B4 1.721(12) . ?
C2 B3 1.693(10) . ?
C2 B7 1.716(12) . ?
C2 B6 1.726(11) . ?
C2 B11 1.719(11) . ?
C5 C13 1.489(11) . ?
C5 C6 1.554(13) . ?
C11 C12 1.440(11) . ?
C11 C18 1.449(9) . ?
C12 C13 1.414(10) . ?
C13 C19 1.402(9) . ?
C14 C15 1.277(13) . ?
C14 C19 1.458(10) . ?
C15 C16 1.375(14) . ?
C16 C17 1.367(11) . ?
C17 C18 1.463(10) . ?
C18 C19 1.427(11) . ?
C21 B27 1.723(13) . ?
C21 C22 1.742(10) . ?
C21 B23 1.746(11) . ?
C21 B26 1.743(11) . ?
C21 B31 1.750(13) . ?
C22 B23 1.664(12) . ?
C22 B26 1.715(10) . ?
C22 B24 1.699(12) . ?
C22 B25 1.730(12) . ?
C25 C26 1.427(16) . ?
C25 C33 1.462(11) . ?
C31 C32 1.388(9) . ?
C31 C38 1.427(11) . ?
C32 C33 1.405(11) . ?
C33 C39 1.447(12) . ?
C34 C35 1.346(11) . ?
C34 C39 1.407(12) . ?
C35 C36 1.458(12) . ?
C36 C37 1.316(12) . ?
C37 C38 1.389(11) . ?
C38 C39 1.431(10) . ?
C41 O1 1.395(11) . ?
C41 C42 1.515(13) . ?
C42 C43 1.504(11) . ?
C43 C44 1.528(13) . ?
C43 C44' 1.60(3) . ?
C44 O1 1.436(14) . ?
C44 Li1 2.64(2) . ?
C44' O1 1.42(3) . ?
C51 O2 1.448(13) . ?
C51 C52 1.555(12) . ?
C52 C53 1.514(11) . ?
C53 C54 1.527(13) . ?
C54 O2 1.425(12) . ?
C61 O4 1.379(12) . ?
C61 C62 1.416(17) . ?
C62 C63 1.554(14) . ?
C63 C64 1.570(17) . ?
C64 O4 1.347(14) . ?
C71 C72 1.39(2) . ?
C71 O3 1.54(2) . ?
C72 C73 1.42(2) . ?
C73 C74 1.48(2) . ?
C74 O3 1.402(13) . ?
B3 B4 1.756(14) . ?
B3 B7 1.785(13) . ?
B3 B8 1.785(13) . ?
B4 B5 1.708(14) . ?
B4 B9 1.772(13) . ?
B4 B8 1.791(15) . ?
B5 B9 1.732(16) . ?
B5 B6 1.778(15) . ?
B5 B10 1.814(13) . ?
B6 B10 1.782(14) . ?
B6 B11 1.840(14) . ?
B7 B12 1.742(14) . ?
B7 B11 1.742(14) . ?
B7 B8 1.785(14) . ?
B8 B9 1.798(16) . ?
B8 B12 1.804(13) . ?
B9 B12 1.787(16) . ?
B9 B10 1.825(15) . ?
B10 B11 1.744(16) . ?
B10 B12 1.746(16) . ?
B11 B12 1.773(16) . ?
B23 B27 1.715(15) . ?
B23 B28 1.754(16) . ?
B23 B24 1.778(15) . ?
B24 B29 1.710(16) . ?
B24 B28 1.741(17) . ?
B24 B25 1.746(12) . ?
B25 B30 1.726(15) . ?
B25 B29 1.732(16) . ?
B25 B26 1.802(13) . ?
B26 B31 1.801(15) . ?
B26 B30 1.815(15) . ?
B27 B28 1.745(16) . ?
B27 B31 1.783(13) . ?
B27 B32 1.807(16) . ?
B28 B32 1.740(15) . ?
B28 B29 1.801(17) . ?
B29 B30 1.759(14) . ?
B29 B32 1.838(18) . ?
B30 B32 1.745(16) . ?
B30 B31 1.794(17) . ?
B31 B32 1.803(14) . ?
O1 Li1 1.906(18) . ?
O2 Li1 1.97(2) . ?
O3 Li1 1.855(19) . ?
O4 Li1 1.94(2) . ?
C81 C82 1.3900 . ?
C81 C86 1.3900 . ?
C81 C87 1.481(15) . ?
C82 C83 1.3900 . ?
C83 C84 1.3900 . ?
C84 C85 1.3900 . ?
C85 C86 1.3900 . ?
