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. 2007 Dec 6;64(Pt 1):m37–m38. doi: 10.1107/S1600536807058928
x y z Uiso*/Ueq
Cu1 0.14007 (5) 0.12441 (5) 0.63070 (3) 0.01550 (12)
O5 −0.0055 (3) 0.3021 (3) 0.48971 (18) 0.0169 (5)
O2 0.3431 (3) 0.1554 (3) 0.56547 (17) 0.0177 (5)
O4 0.0332 (3) 0.4796 (3) 0.33510 (18) 0.0224 (5)
O3 0.3977 (3) 0.3252 (3) 0.41587 (18) 0.0185 (5)
O1 0.2189 (3) −0.1213 (3) 0.55296 (19) 0.0228 (5)
H1 0.3490 −0.1861 0.5383 0.034*
H2 0.1570 −0.1934 0.5482 0.034*
N2 −0.0797 (3) 0.1276 (3) 0.6984 (2) 0.0158 (5)
N1 −0.2437 (3) 0.2848 (4) 0.6778 (2) 0.0180 (6)
H3 −0.2596 0.3944 0.6406 0.022*
N3 0.3058 (3) −0.0261 (4) 0.7738 (2) 0.0160 (5)
N4 0.4574 (3) −0.1886 (3) 0.7756 (2) 0.0163 (5)
H18 0.4959 −0.2313 0.7156 0.020*
C2 −0.3788 (4) 0.2518 (4) 0.7215 (3) 0.0171 (6)
C1 −0.5724 (4) 0.4006 (5) 0.7112 (3) 0.0237 (7)
H4 −0.5811 0.4835 0.7587 0.036*
H6 −0.6521 0.3449 0.7358 0.036*
H5 −0.6112 0.4715 0.6324 0.036*
C3 −0.2992 (4) 0.0638 (4) 0.7711 (3) 0.0185 (7)
H7 −0.3591 −0.0028 0.8086 0.022*
C4 −0.1140 (4) −0.0081 (4) 0.7551 (2) 0.0146 (6)
C5 0.0343 (4) −0.2053 (4) 0.7949 (3) 0.0202 (7)
H10 0.1196 −0.2364 0.7372 0.030*
H8 −0.0210 −0.2881 0.8083 0.030*
H9 0.1011 −0.2201 0.8652 0.030*
C9 0.5419 (4) −0.2766 (4) 0.8815 (3) 0.0183 (7)
C10 0.7136 (4) −0.4587 (4) 0.9037 (3) 0.0229 (7)
H15 0.6822 −0.5597 0.9263 0.034*
H16 0.7949 −0.4659 0.9642 0.034*
H17 0.7761 −0.4698 0.8349 0.034*
C8 0.4410 (4) −0.1676 (4) 0.9506 (3) 0.0189 (7)
H14 0.4654 −0.1924 1.0300 0.023*
C7 0.2938 (4) −0.0112 (4) 0.8806 (3) 0.0172 (6)
C6 0.1419 (4) 0.1515 (5) 0.9110 (3) 0.0243 (7)
H12 0.0974 0.2589 0.8460 0.036*
H13 0.1869 0.1792 0.9743 0.036*
H11 0.0414 0.1238 0.9329 0.036*
C11 0.2947 (4) 0.2729 (4) 0.4716 (2) 0.0149 (6)
C12 0.0885 (4) 0.3626 (4) 0.4252 (3) 0.0176 (7)