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. 2018 Nov 30;74(Pt 12):1923–1927. doi: 10.1107/S2056989018016663
x y z Uiso*/Ueq
O3 0.3138 (3) 0.3939 (5) 0.25476 (7) 0.0243 (4)
O4 0.6224 (3) 0.5432 (6) 0.30735 (7) 0.0277 (4)
O1 0.4407 (3) 0.5831 (6) 0.53444 (8) 0.0294 (4)
O2 0.7570 (4) 0.7455 (6) 0.50022 (7) 0.0315 (5)
N2 0.1012 (3) 0.1876 (5) 0.33842 (7) 0.0188 (4)
N1 0.9340 (3) 1.2049 (5) 0.74469 (7) 0.0168 (3)
N3 0.2855 (3) 0.3515 (6) 0.43916 (8) 0.0216 (4)
C8 0.4243 (4) 0.4341 (6) 0.29860 (8) 0.0182 (4)
C5 0.8626 (3) 1.0835 (6) 0.69173 (8) 0.0158 (4)
C9 0.3040 (4) 0.3411 (6) 0.34657 (8) 0.0166 (4)
C6 0.6482 (4) 0.9450 (6) 0.68152 (8) 0.0183 (4)
C1 0.6445 (4) 0.7247 (6) 0.53737 (9) 0.0215 (4)
C7 0.5784 (3) 0.8259 (6) 0.63124 (8) 0.0186 (4)
C2 0.7220 (4) 0.8505 (6) 0.59139 (8) 0.0176 (4)
C3 0.9376 (4) 0.9931 (7) 0.60225 (9) 0.0200 (4)
C12 0.3970 (4) 0.4200 (6) 0.39723 (8) 0.0188 (4)
C4 1.0095 (4) 1.1100 (6) 0.65252 (9) 0.0187 (4)
C10 −0.0077 (4) 0.1148 (6) 0.38037 (9) 0.0208 (4)
C11 0.0822 (4) 0.1982 (6) 0.43081 (9) 0.0210 (4)
H7 0.437 (6) 0.717 (10) 0.6221 (13) 0.021 (8)*
H10 −0.150 (8) −0.003 (11) 0.3727 (18) 0.037 (10)*
H4 1.156 (6) 1.214 (9) 0.6619 (14) 0.020 (8)*
H3 1.033 (6) 1.003 (9) 0.5770 (15) 0.021 (8)*
H12 0.550 (6) 0.517 (9) 0.4054 (14) 0.020 (8)*
H1A 1.046 (7) 1.362 (10) 0.7450 (15) 0.028 (9)*
H11 0.005 (6) 0.147 (10) 0.4628 (15) 0.027 (9)*
H1B 0.978 (7) 1.037 (11) 0.7611 (17) 0.034 (10)*
H6 0.553 (6) 0.919 (9) 0.7079 (14) 0.020 (7)*
H1C 0.823 (7) 1.291 (9) 0.7600 (15) 0.026 (8)*
H1 0.399 (8) 0.505 (14) 0.506 (2) 0.046 (12)*