Skip to main content
. 2018 Jan 26;74(Pt 2):217–220. doi: 10.1107/S205698901800107X
x y z Uiso*/Ueq
Co1 0.500000 0.500000 0.500000 0.01658 (12)
O3 0.60307 (15) 0.65750 (13) 0.62150 (13) 0.0237 (3)
H3A 0.696404 0.660264 0.635017 0.035*
H3B 0.594575 0.646860 0.692916 0.035*
O2 0.39661 (15) 0.64187 (13) 0.35319 (13) 0.0240 (3)
H2A 0.368923 0.604165 0.279836 0.036*
H2B 0.458953 0.704445 0.358200 0.036*
O4 0.55105 (17) 0.63859 (14) 0.83392 (14) 0.0283 (3)
O1 −0.09235 (17) 0.70328 (16) 0.68073 (17) 0.0365 (4)
O5 0.72605 (18) 0.48025 (16) 0.88934 (16) 0.0356 (4)
N1 0.31337 (18) 0.52596 (16) 0.55744 (16) 0.0208 (3)
C7 0.6189 (2) 0.54056 (19) 0.90123 (18) 0.0221 (4)
C3 0.1007 (2) 0.5713 (2) 0.66124 (18) 0.0216 (4)
C8 0.5656 (2) 0.48648 (19) 0.99864 (19) 0.0239 (4)
H8 0.629871 0.429951 1.061428 0.029*
N2 −0.0347 (3) 0.5112 (2) 0.7922 (2) 0.0491 (6)
H2C −0.102155 0.523521 0.822413 0.059*
H2D 0.020826 0.440936 0.812861 0.059*
C4 0.1453 (2) 0.6727 (2) 0.6015 (2) 0.0268 (4)
H4 0.103978 0.757665 0.594549 0.032*
C2 0.1627 (2) 0.4464 (2) 0.6655 (2) 0.0297 (5)
H2 0.134441 0.375248 0.703564 0.036*
C6 −0.0163 (2) 0.6003 (2) 0.7141 (2) 0.0279 (4)
C5 0.2516 (2) 0.64642 (19) 0.5523 (2) 0.0263 (4)
H5 0.281757 0.715892 0.513627 0.032*
C1 0.2671 (2) 0.4283 (2) 0.6126 (2) 0.0275 (4)
H1 0.307396 0.343382 0.615691 0.033*