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. 2007 Dec 6;64(Pt 1):o168. doi: 10.1107/S160053680706360X
x y z Uiso*/Ueq
Cl1 0.04661 (7) 0.67966 (7) 0.44208 (6) 0.0642 (2)
Cl2 0.43548 (9) 1.27994 (7) −0.59901 (7) 0.0772 (2)
Cl3 0.32169 (10) 1.47146 (8) 0.07383 (9) 0.0893 (3)
O1 0.43622 (16) 0.85408 (15) 0.05573 (15) 0.0530 (4)
O2 0.1867 (2) 0.93858 (16) −0.27062 (15) 0.0616 (4)
O3 −0.01216 (16) 1.23869 (14) 0.03280 (16) 0.0513 (4)
N1 −0.1102 (3) 1.4653 (2) 0.2505 (2) 0.0743 (6)
N2 0.4938 (2) 0.6220 (2) 0.3517 (2) 0.0701 (6)
N3 0.2331 (3) 1.0283 (2) −0.6181 (2) 0.0672 (6)
N4 0.1437 (2) 1.34503 (17) 0.05891 (17) 0.0469 (4)
N5 0.3057 (2) 1.09657 (17) −0.42807 (17) 0.0459 (4)
N6 0.25692 (18) 0.76867 (16) 0.23874 (16) 0.0409 (4)
C1 0.0239 (4) 1.4929 (3) 0.2147 (3) 0.0718 (8)
H1B 0.0338 1.5541 0.2539 0.086*
C2 0.3070 (3) 1.1226 (3) −0.6499 (2) 0.0600 (6)
H2B 0.3358 1.1674 −0.7377 0.072*
C3 −0.1181 (3) 1.3782 (3) 0.1916 (2) 0.0610 (6)
H3B −0.2104 1.3560 0.2147 0.073*
C4 0.5191 (3) 0.7021 (3) 0.2337 (2) 0.0626 (7)
H4B 0.6188 0.7094 0.1867 0.075*
C5 0.1484 (3) 1.4320 (2) 0.1203 (2) 0.0542 (6)
C6 0.1940 (3) 0.9688 (3) −0.4911 (2) 0.0602 (6)
H6B 0.1415 0.9025 −0.4643 0.072*
C7 0.3414 (2) 1.1549 (2) −0.5553 (2) 0.0488 (5)
C8 0.2308 (3) 1.0047 (2) −0.3975 (2) 0.0470 (5)
C9 0.3493 (3) 0.6156 (2) 0.4159 (2) 0.0540 (6)
H9A 0.3264 0.5614 0.5000 0.065*
C10 0.2025 (3) 0.9832 (2) −0.1693 (2) 0.0467 (5)
C11 0.3125 (2) 0.8988 (2) −0.1081 (2) 0.0467 (5)
H11A 0.3812 0.8202 −0.1386 0.056*
C12 0.2348 (2) 0.68880 (19) 0.3581 (2) 0.0407 (5)
C13 0.3169 (2) 0.9348 (2) −0.0002 (2) 0.0421 (5)
C14 0.0097 (2) 1.3191 (2) 0.0952 (2) 0.0440 (5)
C15 0.1076 (2) 1.12977 (19) −0.0168 (2) 0.0403 (5)
C16 0.2156 (2) 1.0492 (2) 0.0488 (2) 0.0409 (4)
H16A 0.2196 1.0713 0.1226 0.049*
C17 0.0996 (2) 1.0992 (2) −0.1265 (2) 0.0444 (5)
H17A 0.0268 1.1553 −0.1699 0.053*
C18 0.3995 (2) 0.77556 (19) 0.1787 (2) 0.0419 (5)