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. 2010 May 8;66(Pt 6):o1254. doi: 10.1107/S1600536810015503
x y z Uiso*/Ueq
Cl4 0.1942 (3) −0.02601 (3) 0.63754 (7) 0.0379 (3)
Cl5 −0.1079 (2) 0.00515 (3) 0.85706 (7) 0.0372 (3)
O11 0.0394 (8) 0.17470 (9) 0.8599 (2) 0.0471 (10)
O12 0.2068 (8) 0.20432 (9) 0.7127 (2) 0.0490 (10)
O21 0.4257 (8) 0.18118 (9) 0.5499 (2) 0.0504 (10)
O22 0.6118 (7) 0.11959 (9) 0.47323 (19) 0.0399 (9)
C1 0.1694 (8) 0.12249 (11) 0.7262 (2) 0.0233 (10)
C2 0.3066 (8) 0.10876 (11) 0.6304 (2) 0.0225 (10)
C3 0.3086 (8) 0.06268 (11) 0.6068 (2) 0.0249 (10)
C4 0.1817 (8) 0.03024 (11) 0.6731 (3) 0.0252 (10)
C5 0.0513 (8) 0.04386 (11) 0.7687 (2) 0.0252 (10)
C6 0.0428 (8) 0.08917 (11) 0.7929 (2) 0.0254 (10)
C11 0.1371 (9) 0.17020 (12) 0.7704 (3) 0.0328 (11)
C21 0.4622 (9) 0.13795 (12) 0.5446 (3) 0.0291 (11)
N1A 1.1032 (8) 0.19332 (11) 0.2708 (3) 0.0411 (11)
C2A 1.2276 (11) 0.21031 (13) 0.1826 (3) 0.0447 (14)
C3A 1.3735 (9) 0.18251 (13) 0.1103 (3) 0.0370 (12)
C4A 1.3940 (8) 0.13645 (12) 0.1288 (2) 0.0282 (10)
C5A 1.2671 (9) 0.12034 (12) 0.2211 (3) 0.0333 (11)
C6A 1.1180 (9) 0.14896 (14) 0.2913 (3) 0.0369 (11)
C41A 1.5391 (10) 0.10520 (15) 0.0494 (3) 0.0463 (14)
O1W 0.7863 (9) 0.23983 (11) 0.4193 (2) 0.0462 (10)
H3 0.39930 0.05350 0.54380 0.0300*
H6 −0.05070 0.09800 0.85580 0.0300*
H21 0.334 (15) 0.191 (2) 0.618 (5) 0.100 (19)*
H1A 1.012 (12) 0.211 (2) 0.315 (4) 0.049 (10)*
H2A 1.21470 0.24130 0.17040 0.0540*
H3A 1.45850 0.19450 0.04900 0.0450*
H5A 1.28280 0.08960 0.23580 0.0400*
H6A 1.02810 0.13770 0.35270 0.0440*
H41A 1.61710 0.12240 −0.00890 0.0560*
H42A 1.36170 0.08430 0.02790 0.0560*
H43A 1.73170 0.08870 0.07810 0.0560*
H11W 0.666 (13) 0.2227 (18) 0.449 (4) 0.065 (17)*
H12W 0.694 (11) 0.2626 (17) 0.405 (3) 0.046 (14)*