#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/02/4060276.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_4060276
loop_
_publ_author_name
'García, Felipe'
'Hopkins, Alexander D.'
'Kowenicki, Richard A.'
'McPartlin, Mary'
'Pask, Christopher M.'
'Stead, Matthew L.'
'Woods, Anthony D.'
'Wright, Dominic S.'
_publ_section_title
;
Reactions of Sn(NMe₂)₂ with Primary Aryl Phosphides, ArPH-: 
Synthesis and Structures of the Heteroleptic Cages 
[{(PhP--PPh)Sn(μ-PPh)}₂(Na·PMDETA)₄ and 
[{Sn(μ₃-Ppy)}₃{Sn(μ₃,μ₁-pyP--Ppy)}₃]
;
_journal_issue                   8
_journal_name_full               Organometallics
_journal_page_first              1813
_journal_page_last               1818
_journal_paper_doi               10.1021/om049177i
_journal_volume                  24
_journal_year                    2005
_chemical_formula_sum            'C55 H56 N9 O2.5 P9 Sn6'
_chemical_formula_weight         1873.96
_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                90.93(3)
_cell_angle_beta                 92.14(3)
_cell_angle_gamma                101.67(3)
_cell_formula_units_Z            2
_cell_length_a                   11.810(2)
_cell_length_b                   14.816(3)
_cell_length_c                   19.365(4)
_cell_measurement_temperature    180(2)
_cell_volume                     3315.0(12)
_diffrn_ambient_temperature      180(2)
_exptl_crystal_density_diffrn    1.877
_cod_original_formula_sum        'C55 H56 N9 O2.50 P9 Sn6'
_cod_database_code               4060276
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
Sn1 Sn -0.29601(4) 0.07367(3) -0.23502(2) 0.03141(11) Uani 1 1 d . . .
P1 P -0.22707(14) 0.21191(12) -0.14930(9) 0.0303(4) Uani 1 1 d . . .
Sn2 Sn -0.10182(4) 0.39801(3) -0.13306(2) 0.03028(11) Uani 1 1 d . . .
P2 P -0.12925(14) 0.42594(11) -0.26349(9) 0.0284(4) Uani 1 1 d . . .
Sn3 Sn -0.16140(4) 0.34223(3) -0.40017(2) 0.03106(11) Uani 1 1 d . . .
P3 P -0.26196(14) 0.18526(11) -0.35406(9) 0.0276(4) Uani 1 1 d . . .
Sn4 Sn 0.05507(4) 0.14961(3) -0.13795(2) 0.03192(11) Uani 1 1 d . . .
P4 P 0.07270(14) 0.32702(11) -0.16802(9) 0.0274(4) Uani 1 1 d . . .
Sn5 Sn 0.01228(4) 0.10834(3) -0.36973(2) 0.02943(11) Uani 1 1 d . . .
P5 P -0.07324(14) 0.08244(11) -0.24597(9) 0.0284(4) Uani 1 1 d . . .
Sn6 Sn 0.17208(4) 0.40136(3) -0.27821(2) 0.03148(11) Uani 1 1 d . . .
P6 P 0.02986(14) 0.28814(11) -0.36488(9) 0.0278(4) Uani 1 1 d . . .
P7 P -0.13329(16) 0.15391(12) -0.06764(9) 0.0335(4) Uani 1 1 d . . .
P8 P 0.03147(15) 0.52011(12) -0.28688(9) 0.0320(4) Uani 1 1 d . . .
P9 P -0.20205(15) 0.08524(11) -0.42017(9) 0.0304(4) Uani 1 1 d . . .
C1 C -0.3603(6) 0.2327(5) -0.1111(4) 0.0377(16) Uani 1 1 d . . .
C2 C -0.4375(8) 0.2655(7) -0.1534(5) 0.072(3) Uani 1 1 d . . .
H2 H -0.4242 0.2720 -0.2013 0.087 Uiso 1 1 calc R . .
C3 C -0.5340(9) 0.2890(7) -0.1269(6) 0.085(3) Uani 1 1 d . . .
H3 H -0.5881 0.3115 -0.1560 0.102 Uiso 1 1 calc R . .
C4 C -0.5507(8) 0.2794(6) -0.0578(6) 0.067(3) Uani 1 1 d . . .
H4 H -0.6173 0.2942 -0.0379 0.080 Uiso 1 1 calc R . .
C5 C -0.4711(8) 0.2486(8) -0.0185(5) 0.075(3) Uani 1 1 d . . .
H5 H -0.4826 0.2436 0.0297 0.090 Uiso 1 1 calc R . .
N6 N -0.3746(6) 0.2241(6) -0.0434(4) 0.062(2) Uani 1 1 d . . .
C21 C -0.2435(6) 0.4940(5) -0.2569(3) 0.0334(15) Uani 1 1 d . . .
C22 C -0.3554(7) 0.4483(6) -0.2703(5) 0.062(3) Uani 1 1 d . . .
H22 H -0.3715 0.3875 -0.2898 0.075 Uiso 1 1 calc R . .
C23 C -0.4456(8) 0.4931(7) -0.2547(7) 0.084(4) Uani 1 1 d . . .
H23 H -0.5239 0.4617 -0.2611 0.101 Uiso 1 1 calc R . .
C24 C -0.4204(8) 0.5807(7) -0.2306(5) 0.067(3) Uani 1 1 d . . .
H24 H -0.4801 0.6126 -0.2204 0.080 Uiso 1 1 calc R . .
C25 C -0.3067(8) 0.6226(6) -0.2213(5) 0.061(2) Uani 1 1 d . . .
H25 H -0.2895 0.6849 -0.2051 0.073 Uiso 1 1 calc R . .
N26 N -0.2170(5) 0.5817(4) -0.2337(3) 0.0477(16) Uani 1 1 d . . .
C31 C -0.4157(5) 0.1743(5) -0.3801(3) 0.0332(15) Uani 1 1 d . . .
C32 C -0.4781(7) 0.1096(6) -0.4254(5) 0.062(2) Uani 1 1 d . . .
H32 H -0.4417 0.0669 -0.4487 0.074 Uiso 1 1 calc R . .
C33 C -0.5940(8) 0.1070(8) -0.4369(6) 0.079(3) Uani 1 1 d . . .
H33 H -0.6376 0.0631 -0.4689 0.095 Uiso 1 1 calc R . .
C34 C -0.6458(7) 0.1652(8) -0.4037(6) 0.075(3) Uani 1 1 d . . .
H34 H -0.7265 0.1628 -0.4105 0.090 Uiso 1 1 calc R . .
C35 C -0.5791(8) 0.2292(8) -0.3593(6) 0.090(4) Uani 1 1 d . . .
H35 H -0.6155 0.2720 -0.3361 0.108 Uiso 1 1 calc R . .
N36 N -0.4633(6) 0.2348(6) -0.3464(4) 0.072(2) Uani 1 1 d . . .
C41 C 0.1779(5) 0.3835(4) -0.0992(3) 0.0290(14) Uani 1 1 d . . .
C42 C 0.1582(6) 0.3663(5) -0.0307(3) 0.0359(16) Uani 1 1 d . . .
H42 H 0.0941 0.3208 -0.0180 0.043 Uiso 1 1 calc R . .
C43 C 0.2325(7) 0.4158(6) 0.0195(4) 0.052(2) Uani 1 1 d . . .
H43 H 0.2203 0.4048 0.0671 0.062 Uiso 1 1 calc R . .
C44 C 0.3253(7) 0.4818(6) -0.0008(5) 0.057(2) Uani 1 1 d . . .
H44 H 0.3773 0.5178 0.0324 0.068 Uiso 1 1 calc R . .
C45 C 0.3396(7) 0.4934(5) -0.0696(5) 0.054(2) Uani 1 1 d . . .
H45 H 0.4045 0.5377 -0.0831 0.065 Uiso 1 1 calc R . .
N46 N 0.2688(5) 0.4469(4) -0.1203(3) 0.0417(15) Uani 1 1 d . . .
C51 C -0.0598(5) -0.0365(4) -0.2269(3) 0.0292(14) Uani 1 1 d . . .
C52 C -0.0994(7) -0.1102(5) -0.2732(4) 0.0441(18) Uani 1 1 d . . .
H52 H -0.1337 -0.1006 -0.3169 0.053 Uiso 1 1 calc R . .
C53 C -0.0876(7) -0.1980(5) -0.2541(4) 0.053(2) Uani 1 1 d . . .
H53 H -0.1129 -0.2492 -0.2850 0.064 Uiso 1 1 calc R . .
C54 C -0.0400(7) -0.2099(5) -0.1915(5) 0.049(2) Uani 1 1 d . . .
H54 H -0.0324 -0.2696 -0.1773 0.058 Uiso 1 1 calc R . .
C55 C -0.0027(7) -0.1343(5) -0.1487(5) 0.054(2) Uani 1 1 d . . .
H55 H 0.0319 -0.1430 -0.1048 0.065 Uiso 1 1 calc R . .
N56 N -0.0124(5) -0.0490(4) -0.1654(3) 0.0405(14) Uani 1 1 d . . .
C61 C 0.1044(5) 0.3072(4) -0.4470(3) 0.0301(14) Uani 1 1 d . . .
C62 C 0.1411(7) 0.3940(5) -0.4733(4) 0.0476(19) Uani 1 1 d . . .
H62 H 0.1309 0.4472 -0.4482 0.057 Uiso 1 1 calc R . .
C63 C 0.1923(8) 0.4026(6) -0.5358(5) 0.063(2) Uani 1 1 d . . .
H63 H 0.2183 0.4618 -0.5543 0.075 Uiso 1 1 calc R . .
C64 C 0.2057(7) 0.3253(7) -0.5715(4) 0.057(2) Uani 1 1 d . . .
H64 H 0.2408 0.3296 -0.6150 0.068 Uiso 1 1 calc R . .
C65 C 0.1667(7) 0.2405(6) -0.5423(4) 0.0472(19) Uani 1 1 d . . .
H65 H 0.1764 0.1866 -0.5666 0.057 Uiso 1 1 calc R . .
N66 N 0.1160(5) 0.2310(4) -0.4816(3) 0.0369(13) Uani 1 1 d . . .
C71 C -0.1958(6) 0.0299(4) -0.0750(3) 0.0323(15) Uani 1 1 d . . .
N72 N -0.2648(5) -0.0063(4) -0.1296(3) 0.0361(13) Uani 1 1 d . . .
C73 C -0.3075(6) -0.0982(5) -0.1337(4) 0.0419(17) Uani 1 1 d . . .
H73 H -0.3561 -0.1225 -0.1727 0.050 Uiso 1 1 calc R . .
C74 C -0.2842(7) -0.1576(5) -0.0848(4) 0.0480(19) Uani 1 1 d . . .
H74 H -0.3153 -0.2218 -0.0895 0.058 Uiso 1 1 calc R . .
C75 C -0.2145(8) -0.1220(6) -0.0282(4) 0.057(2) Uani 1 1 d . . .
H75 H -0.1964 -0.1615 0.0070 0.069 Uiso 1 1 calc R . .
C76 C -0.1711(7) -0.0280(5) -0.0232(4) 0.0440(18) Uani 1 1 d . . .
H76 H -0.1240 -0.0027 0.0161 0.053 Uiso 1 1 calc R . .
C81 C 0.0873(6) 0.5756(4) -0.2040(3) 0.0316(15) Uani 1 1 d . . .
N82 N 0.0379(5) 0.5475(4) -0.1441(3) 0.0317(12) Uani 1 1 d . . .
C83 C 0.0811(6) 0.5913(5) -0.0844(4) 0.0411(17) Uani 1 1 d . . .
H83 H 0.0459 0.5708 -0.0426 0.049 Uiso 1 1 calc R . .
C84 C 0.1738(7) 0.6643(5) -0.0812(4) 0.047(2) Uani 1 1 d . . .
H84 H 0.2002 0.6952 -0.0385 0.056 Uiso 1 1 calc R . .
C85 C 0.2277(7) 0.6918(5) -0.1414(4) 0.053(2) Uani 1 1 d . . .
H85 H 0.2938 0.7405 -0.1405 0.064 Uiso 1 1 calc R . .
C86 C 0.1846(6) 0.6478(5) -0.2031(4) 0.0417(17) Uani 1 1 d . . .
H86 H 0.2209 0.6665 -0.2449 0.050 Uiso 1 1 calc R . .
C91 C -0.1701(5) 0.1473(4) -0.5004(3) 0.0316(15) Uani 1 1 d . . .
N92 N -0.1594(5) 0.2392(4) -0.5033(3) 0.0323(12) Uani 1 1 d . . .
C93 C -0.1321(6) 0.2807(5) -0.5633(4) 0.0395(17) Uani 1 1 d . . .
H93 H -0.1254 0.3457 -0.5647 0.047 Uiso 1 1 calc R . .
C94 C -0.1131(7) 0.2352(5) -0.6227(4) 0.0454(18) Uani 1 1 d . . .
H94 H -0.0922 0.2677 -0.6637 0.055 Uiso 1 1 calc R . .
C95 C -0.1255(7) 0.1404(5) -0.6207(4) 0.0459(19) Uani 1 1 d . . .
H95 H -0.1154 0.1060 -0.6611 0.055 Uiso 1 1 calc R . .
C96 C -0.1527(6) 0.0967(5) -0.5596(4) 0.0383(16) Uani 1 1 d . . .
H96 H -0.1597 0.0318 -0.5575 0.046 Uiso 1 1 calc R . .
O1S O -0.4039(11) 0.0981(8) 0.1675(9) 0.194(6) Uani 1 1 d . . .
C1S C -0.389(2) 0.0455(17) 0.1129(10) 0.226(12) Uani 1 1 d D . .
H1S1 H -0.3243 0.0783 0.0861 0.271 Uiso 1 1 calc R . .
H1S2 H -0.4601 0.0342 0.0824 0.271 Uiso 1 1 calc R . .
C2S C -0.366(2) -0.0376(14) 0.1339(13) 0.279(19) Uani 1 1 d D . .
H2S1 H -0.3064 -0.0558 0.1051 0.334 Uiso 1 1 calc R . .
H2S2 H -0.4368 -0.0864 0.1297 0.334 Uiso 1 1 calc R . .
C3S C -0.325(2) -0.0250(16) 0.2045(12) 0.250(15) Uani 1 1 d D . .
H3S1 H -0.3808 -0.0608 0.2356 0.300 Uiso 1 1 calc R . .
H3S2 H -0.2491 -0.0435 0.2113 0.300 Uiso 1 1 calc R . .
C4S C -0.314(2) 0.0689(16) 0.2159(15) 0.30(2) Uani 1 1 d D . .
H4S1 H -0.2355 0.1022 0.2056 0.358 Uiso 1 1 calc R . .
H4S2 H -0.3292 0.0822 0.2646 0.358 Uiso 1 1 calc R . .
O1T O 0.5669(15) 0.8477(12) 0.6196(9) 0.114(6) Uiso 0.50 1 d PD A 1
C1T C 0.5892(13) 0.7952(15) 0.6809(10) 0.087(7) Uiso 0.50 1 d PD A 1
H1T1 H 0.5950 0.7320 0.6663 0.104 Uiso 0.50 1 calc PR A 1
H1T2 H 0.6638 0.8251 0.7040 0.104 Uiso 0.50 1 calc PR A 1
C2T C 0.4998(13) 0.7906(14) 0.7279(8) 0.074(5) Uiso 0.50 1 d PD A 1
H2T1 H 0.5141 0.8450 0.7597 0.089 Uiso 0.50 1 calc PR A 1
H2T2 H 0.4904 0.7338 0.7551 0.089 Uiso 0.50 1 calc PR A 1
C3T C 0.4028(14) 0.7898(18) 0.6828(13) 0.125(10) Uiso 0.50 1 d PD A 1
H3T1 H 0.3366 0.8037 0.7080 0.150 Uiso 0.50 1 calc PR A 1
H3T2 H 0.3786 0.7298 0.6578 0.150 Uiso 0.50 1 calc PR A 1
C4T C 0.447(2) 0.861(2) 0.6375(16) 0.156(13) Uiso 0.50 1 d PD A 1
H4T1 H 0.3963 0.8573 0.5952 0.187 Uiso 0.50 1 calc PR A 1
H4T2 H 0.4517 0.9222 0.6603 0.187 Uiso 0.50 1 calc PR A 1
O1T' O 0.536(3) 0.268(2) 0.4320(16) 0.235(12) Uiso 0.50 1 d PD B 2
C1T' C 0.536(3) 0.1765(18) 0.3960(16) 0.146(13) Uiso 0.50 1 d PD B 2
H1T3 H 0.4847 0.1236 0.4166 0.176 Uiso 0.50 1 calc PR B 2
H1T4 H 0.6149 0.1639 0.3912 0.176 Uiso 0.50 1 calc PR B 2
C2T' C 0.490(2) 0.207(2) 0.3348(18) 0.28(2) Uiso 0.50 1 d PD B 2
H2T3 H 0.4757 0.1587 0.2980 0.335 Uiso 0.50 1 calc PR B 2
H2T4 H 0.4163 0.2278 0.3430 0.335 Uiso 0.50 1 calc PR B 2
C3T' C 0.578(2) 0.2818(17) 0.3181(12) 0.101(8) Uiso 0.50 1 d PD B 2
H3T3 H 0.6507 0.2610 0.3085 0.121 Uiso 0.50 1 calc PR B 2
H3T4 H 0.5549 0.3151 0.2777 0.121 Uiso 0.50 1 calc PR B 2
C4T' C 0.590(3) 0.337(2) 0.3792(16) 0.201(16) Uiso 0.50 1 d PD B 2
H4T3 H 0.5480 0.3880 0.3744 0.242 Uiso 0.50 1 calc PR B 2
H4T4 H 0.6725 0.3625 0.3917 0.242 Uiso 0.50 1 calc PR B 2
O1U O 0.4914(17) 0.4728(13) 0.5348(9) 0.212(7) Uiso 0.25 1 d P C -1
C1U C 0.5086(17) 0.5272(13) 0.4652(9) 0.212(7) Uiso 0.25 1 d PD C -1
H1U1 H 0.4330 0.5365 0.4461 0.255 Uiso 0.25 1 calc PR C -1
H1U2 H 0.5596 0.5884 0.4740 0.255 Uiso 0.25 1 calc PR C -1
C2U C 0.558(3) 0.476(2) 0.4185(14) 0.183(15) Uiso 0.25 1 d PD C -1
H2U1 H 0.4997 0.4477 0.3824 0.220 Uiso 0.25 1 calc PR C -1
H2U2 H 0.6222 0.5167 0.3957 0.220 Uiso 0.25 1 calc PR C -1
C3U C 0.600(2) 0.4077(18) 0.4517(15) 0.129(10) Uiso 0.25 1 d PD C -1
H3U1 H 0.6800 0.4320 0.4706 0.155 Uiso 0.25 1 calc PR C -1
H3U2 H 0.6024 0.3560 0.4191 0.155 Uiso 0.25 1 calc PR C -1
C4U C 0.528(3) 0.378(2) 0.5048(15) 0.150(12) Uiso 0.25 1 d PD C -1
H4U1 H 0.5683 0.3486 0.5413 0.181 Uiso 0.25 1 calc PR C -1
H4U2 H 0.4585 0.3326 0.4873 0.181 Uiso 0.25 1 calc PR C -1
O1U' O 0.5086(17) 0.5272(13) 0.4652(9) 0.212(7) Uiso 0.25 1 d P D -2
C1U' C 0.4914(17) 0.4728(13) 0.5348(9) 0.212(7) Uiso 0.25 1 d P D -2
H1U3 H 0.4404 0.4116 0.5260 0.255 Uiso 0.25 1 calc PR D -2
H1U4 H 0.5670 0.4635 0.5539 0.255 Uiso 0.25 1 calc PR D -2
C2U' C 0.442(3) 0.524(2) 0.5815(14) 0.183(15) Uiso 0.25 1 d P D -2
H2U3 H 0.3778 0.4833 0.6043 0.220 Uiso 0.25 1 calc PR D -2
H2U4 H 0.5003 0.5523 0.6176 0.220 Uiso 0.25 1 calc PR D -2
C3U' C 0.400(2) 0.5923(18) 0.5483(15) 0.129(10) Uiso 0.25 1 d P D -2
H3U3 H 0.3976 0.6440 0.5809 0.155 Uiso 0.25 1 calc PR D -2
H3U4 H 0.3200 0.5680 0.5294 0.155 Uiso 0.25 1 calc PR D -2
C4U' C 0.472(3) 0.622(2) 0.4952(15) 0.150(12) Uiso 0.25 1 d P D -2
H4U3 H 0.5415 0.6674 0.5127 0.181 Uiso 0.25 1 calc PR D -2
H4U4 H 0.4317 0.6514 0.4587 0.181 Uiso 0.25 1 calc PR D -2
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
Sn1 N72 2.431(6) . ?
Sn1 P1 2.5938(19) . ?
Sn1 P5 2.6245(18) . ?
Sn1 P3 2.852(2) . ?
P1 C1 1.842(7) . ?
P1 P7 2.183(3) . ?
P1 Sn2 2.860(2) . ?
Sn2 N82 2.498(5) . ?
Sn2 P2 2.5852(19) . ?
Sn2 P4 2.6020(17) . ?
P2 C21 1.847(6) . ?
P2 P8 2.184(3) . ?
P2 Sn3 2.8838(18) . ?
Sn3 N92 2.497(5) . ?
Sn3 P3 2.5780(19) . ?
Sn3 P6 2.6164(18) . ?
P3 C31 1.841(7) . ?
P3 P9 2.183(2) . ?
Sn4 P5 2.5977(19) . ?
Sn4 P7 2.6621(19) . ?
Sn4 P4 2.6700(18) . ?
P4 C41 1.854(7) . ?
P4 Sn6 2.6236(19) . ?
Sn5 P6 2.6297(18) . ?
Sn5 P9 2.6330(19) . ?
Sn5 P5 2.6391(19) . ?
P5 C51 1.843(6) . ?
Sn6 P6 2.648(2) . ?
Sn6 P8 2.6555(19) . ?
P6 C61 1.845(6) . ?
P7 C71 1.837(7) . ?
P8 C81 1.829(7) . ?
P9 C91 1.831(7) . ?
C1 N6 1.332(10) . ?
C1 C2 1.370(11) . ?
C2 C3 1.372(11) . ?
C3 C4 1.366(14) . ?
C4 C5 1.341(13) . ?
C5 N6 1.366(10) . ?
C21 N26 1.339(8) . ?
C21 C22 1.370(10) . ?
C22 C23 1.405(11) . ?
C23 C24 1.342(12) . ?
C24 C25 1.365(12) . ?
C25 N26 1.350(9) . ?
C31 N36 1.326(9) . ?
C31 C32 1.368(10) . ?
C32 C33 1.371(11) . ?
C33 C34 1.325(13) . ?
C34 C35 1.371(14) . ?
C35 N36 1.367(11) . ?
C41 N46 1.356(8) . ?
C41 C42 1.375(9) . ?
C42 C43 1.380(10) . ?
C43 C44 1.387(12) . ?
C44 C45 1.358(12) . ?
C45 N46 1.350(9) . ?
C51 N56 1.330(8) . ?
C51 C52 1.395(9) . ?
C52 C53 1.390(10) . ?
C53 C54 1.346(12) . ?
C54 C55 1.372(11) . ?
C55 N56 1.335(9) . ?
C61 N66 1.335(8) . ?
C61 C62 1.383(10) . ?
C62 C63 1.370(10) . ?
C63 C64 1.367(12) . ?
C64 C65 1.386(11) . ?
C65 N66 1.335(9) . ?
C71 N72 1.345(8) . ?
C71 C76 1.391(10) . ?
N72 C73 1.353(8) . ?
C73 C74 1.361(10) . ?
C74 C75 1.377(11) . ?
C75 C76 1.385(10) . ?
C81 N82 1.352(8) . ?
C81 C86 1.402(9) . ?
N82 C83 1.348(8) . ?
C83 C84 1.374(10) . ?
C84 C85 1.376(11) . ?
C85 C86 1.380(10) . ?
C91 N92 1.345(8) . ?
C91 C96 1.404(9) . ?
N92 C93 1.342(9) . ?
C93 C94 1.373(9) . ?
C94 C95 1.384(10) . ?
C95 C96 1.375(10) . ?
O1S C1S 1.340(18) . ?
O1S C4S 1.52(2) . ?
C1S C2S 1.379(16) . ?
C2S C3S 1.430(17) . ?
C3S C4S 1.385(17) . ?
O1T C1T 1.47(2) . ?
O1T C4T 1.52(2) . ?
C1T C2T 1.411(13) . ?
C1T C3T 2.188(19) . ?
C2T C3T 1.411(13) . ?
C3T C4T 1.414(13) . ?
O1T' C1T' 1.52(2) . ?
O1T' C4T' 1.52(2) . ?
C1T' C2T' 1.411(13) . ?
C2T' C3T' 1.410(13) . ?
C3T' C4T' 1.413(13) . ?
O1U C1U 1.58(3) . ?
O1U C4U 1.66(3) . ?
C1U C2U 1.395(18) . ?
C2U C3U 1.369(18) . ?
C3U C4U 1.385(18) . ?
O1U' C1U' 1.58(3) . ?
O1U' C4U' 1.66(3) . ?
C1U' C2U' 1.395(18) . ?
C2U' C3U' 1.369(18) . ?
C3U' C4U' 1.385(18) . ?
