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. 2010 Feb 24;66(Pt 3):m322. doi: 10.1107/S1600536810006422
x y z Uiso*/Ueq Occ. (<1)
U 0.5000 0.5000 0.5000 0.03209 (7)
Cl1 1.08718 (12) 0.15464 (16) 0.42224 (11) 0.0674 (3)
Cl2 1.27581 (13) −0.08470 (15) 0.60993 (14) 0.0711 (3)
Cl3 1.23459 (15) 0.1967 (2) 0.6270 (2) 0.0834 (4)
P1 0.74992 (8) 0.19775 (8) 0.75384 (8) 0.03262 (14)
O1 0.6348 (3) 0.2904 (3) 0.6531 (3) 0.0474 (6)
O2 1.0554 (3) −0.0118 (4) 0.8039 (3) 0.0613 (9)
O3 0.5489 (3) 0.6026 (4) 0.5826 (3) 0.0526 (6)
O4 0.6361 (3) 0.5934 (3) 0.2862 (3) 0.0520 (7)
O5 0.7579 (3) 0.4078 (4) 0.4326 (3) 0.0588 (8)
O6 0.8601 (4) 0.4932 (4) 0.2460 (4) 0.0688 (10)
N1 0.8984 (3) 0.1713 (3) 0.6561 (3) 0.0373 (5)
H1 0.8905 0.2245 0.5738 0.045*
N3 0.7074 (3) 0.0571 (3) 0.8365 (3) 0.0420 (6)
N4 0.7559 (3) 0.4981 (4) 0.3181 (3) 0.0432 (6)
C1 1.0286 (3) 0.0743 (4) 0.6952 (3) 0.0383 (6)
C2 1.1511 (4) 0.0847 (4) 0.5899 (4) 0.0445 (7)
N2 0.7919 (3) 0.2608 (4) 0.8625 (4) 0.0450 (6)
C3A 0.6874 (16) 0.2992 (18) 0.9673 (15) 0.056 (4) 0.58
H3A1 0.7145 0.2300 1.0549 0.067* 0.58
H3A2 0.5915 0.3050 0.9453 0.067* 0.58
C4A 0.6950 (10) 0.4427 (12) 0.9649 (15) 0.072 (3) 0.58
H4A1 0.6628 0.4628 1.0494 0.086* 0.58
H4A2 0.6384 0.5183 0.8917 0.086* 0.58
C5A 0.8571 (12) 0.4237 (17) 0.9427 (18) 0.084 (4) 0.58
H5A1 0.8771 0.5144 0.9155 0.101* 0.58
H5A2 0.9129 0.3609 1.0223 0.101* 0.58
C6A 0.884 (2) 0.355 (2) 0.828 (2) 0.066 (6) 0.58
H6A1 0.8564 0.4270 0.7415 0.079* 0.58
H6A2 0.9840 0.3007 0.8241 0.079* 0.58
C3B 0.692 (3) 0.282 (3) 0.974 (2) 0.075 (7) 0.42
H3B1 0.5935 0.3271 0.9419 0.090* 0.42
H3B2 0.6979 0.1919 1.0426 0.090* 0.42
C4B 0.743 (2) 0.377 (2) 1.0253 (19) 0.096 (5) 0.42
H4B1 0.8132 0.3208 1.0961 0.115* 0.42
H4B2 0.6634 0.4393 1.0611 0.115* 0.42
C5B 0.810 (3) 0.4639 (19) 0.904 (3) 0.096 (6) 0.42
H5B1 0.7379 0.5434 0.8473 0.116* 0.42
H5B2 0.8789 0.4995 0.9322 0.116* 0.42
C6B 0.885 (3) 0.352 (3) 0.831 (3) 0.072 (8) 0.42
H6B1 0.8895 0.3961 0.7349 0.086* 0.42
H6B2 0.9811 0.2988 0.8655 0.086* 0.42
C7 0.6093 (4) 0.0065 (5) 0.7792 (4) 0.0497 (8)
H7A 0.6362 0.0058 0.6875 0.060*
H7B 0.5109 0.0666 0.7797 0.060*
C8 0.6270 (8) −0.1427 (7) 0.8705 (8) 0.0852 (18)
H8A 0.5426 −0.1457 0.9265 0.102*
H8B 0.6408 −0.2085 0.8180 0.102*
C9 0.7537 (12) −0.1812 (7) 0.9542 (8) 0.109 (3)
H9A 0.8378 −0.2340 0.9145 0.131*
H9B 0.7402 −0.2411 1.0435 0.131*
C10 0.7735 (5) −0.0494 (5) 0.9627 (4) 0.0582 (10)
H10A 0.8744 −0.0588 0.9669 0.070*
H10B 0.7250 −0.0240 1.0409 0.070*