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. 2011 Jan 29;67(Pt 2):m285. doi: 10.1107/S1600536811002728
x y z Uiso*/Ueq
Cu1 −0.03943 (3) 0.83530 (3) 0.16964 (3) 0.05693 (13)
S1 −0.00326 (7) 0.67390 (7) 0.37486 (5) 0.05609 (17)
S2 0.11161 (9) 0.47767 (7) 0.28919 (5) 0.06255 (18)
N1 −0.3026 (2) 0.9293 (2) 0.16879 (19) 0.0580 (5)
N2 0.1131 (2) 0.9633 (2) 0.17961 (19) 0.0599 (5)
N3 −0.6377 (2) 1.0592 (2) 0.2077 (2) 0.0694 (6)
N4 0.3589 (3) 0.6469 (2) 0.38308 (18) 0.0610 (5)
N5 0.1249 (2) 0.65814 (18) 0.06703 (15) 0.0464 (4)
C1 −0.4605 (3) 0.9840 (2) 0.1839 (2) 0.0489 (5)
C2 0.2361 (3) 1.0016 (2) 0.1905 (2) 0.0480 (5)
C3 0.1841 (3) 0.7106 (2) 0.43562 (18) 0.0452 (4)
C4 0.1311 (3) 0.8103 (3) 0.5330 (2) 0.0612 (6)
H4 0.0059 0.8499 0.5684 0.073*
C5 0.2682 (4) 0.8504 (3) 0.5770 (2) 0.0709 (7)
H5 0.2372 0.9197 0.6414 0.085*
C6 0.4516 (4) 0.7863 (3) 0.5242 (2) 0.0692 (7)
H6 0.5475 0.8109 0.5519 0.083*
C7 0.4889 (3) 0.6858 (3) 0.4302 (2) 0.0695 (7)
H7 0.6136 0.6409 0.3963 0.083*
C8 0.1811 (3) 0.5212 (2) 0.11824 (18) 0.0462 (5)
C9 0.2919 (4) 0.4027 (2) 0.0454 (2) 0.0627 (6)
H9 0.3245 0.3078 0.0850 0.075*
C10 0.3528 (4) 0.4264 (3) −0.0852 (2) 0.0681 (7)
H10 0.4289 0.3484 −0.1362 0.082*
C11 0.2996 (4) 0.5682 (3) −0.1403 (2) 0.0660 (6)
H11 0.3402 0.5877 −0.2292 0.079*
C12 0.1868 (3) 0.6795 (2) −0.0633 (2) 0.0568 (5)
H12 0.1505 0.7748 −0.1019 0.068*