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. 2015 Aug 12;71(Pt 9):1022–1025. doi: 10.1107/S2056989015014516
x y z Uiso*/Ueq
Cd1 1.0000 0.11224 (5) 0.7500 0.0180 (2)
N1 0.8425 (4) 0.4650 (5) 0.71416 (18) 0.0327 (10)
H1A 0.8043 0.5387 0.6978 0.039*
H1B 0.9243 0.4416 0.7050 0.039*
N2 0.8289 (4) 0.2699 (4) 0.78205 (17) 0.0269 (9)
C4 0.7391 (6) 0.1135 (5) 0.8626 (2) 0.0360 (12)
O1 0.9090 (4) 0.1297 (4) 0.65667 (17) 0.0449 (10)
N3 1.1454 (4) −0.0840 (4) 0.72898 (18) 0.0224 (8)
C1 0.7732 (6) 0.3852 (5) 0.75474 (18) 0.0235 (10)
C2 0.7281 (5) 0.2249 (5) 0.81951 (18) 0.0258 (9)
C3 1.1166 (4) −0.1874 (5) 0.6876 (2) 0.0234 (9)
N6 0.9069 (5) 0.1975 (7) 0.5616 (2) 0.0516 (13)
N5 0.8982 (5) −0.2271 (6) 0.6291 (3) 0.0571 (15)
N4 0.7418 (7) 0.0315 (6) 0.9000 (2) 0.0651 (17)
C5 0.9921 (5) −0.2038 (6) 0.6565 (2) 0.0308 (11)
C6 0.9373 (9) 0.2022 (10) 0.6174 (3) 0.0700 (18)
H6 0.9931 0.2801 0.6272 0.084*
C8 0.9492 (13) 0.3011 (17) 0.5189 (5) 0.122 (3)
H8A 0.9115 0.3947 0.5282 0.183*
H8B 0.9178 0.2711 0.4811 0.183*
H8C 1.0465 0.3073 0.5187 0.183*
C7 0.8193 (12) 0.0771 (13) 0.5425 (5) 0.113 (3)
H7A 0.8668 −0.0134 0.5472 0.169*
H7B 0.7959 0.0902 0.5022 0.169*
H7C 0.7381 0.0758 0.5657 0.169*