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. 2016 Mar 31;72(Pt 4):552–555. doi: 10.1107/S205698901600476X
x y z Uiso*/Ueq
N1 0.50000 0.1866 (2) 0.25000 0.0244 (5)
N2 0.48606 (8) 0.18336 (19) 0.12847 (8) 0.0326 (4)
N3 0.48592 (8) −0.07579 (17) 0.18444 (7) 0.0342 (4)
N4 0.50000 −0.3280 (3) 0.25000 0.0501 (8)
C2 0.49100 (8) 0.09524 (18) 0.18883 (7) 0.0248 (4)
C4 0.50000 −0.1589 (3) 0.25000 0.0300 (6)
F5A 0.32327 (5) 0.12206 (14) 0.26116 (5) 0.0420 (3)
O2A 0.06416 (6) 0.34719 (15) 0.03132 (6) 0.0326 (3)
N1A 0.11896 (8) 0.17904 (17) 0.13300 (7) 0.0315 (4)
N3A 0.19980 (7) 0.34775 (15) 0.09362 (7) 0.0252 (3)
N4A 0.33640 (8) 0.35220 (17) 0.16222 (8) 0.0299 (4)
C2A 0.12590 (8) 0.29396 (19) 0.08380 (8) 0.0253 (4)
C4A 0.26467 (8) 0.29295 (18) 0.15183 (8) 0.0243 (4)
C5A 0.25656 (9) 0.17587 (19) 0.20310 (8) 0.0286 (4)
C6A 0.18349 (9) 0.1215 (2) 0.19258 (9) 0.0332 (5)
F5B 0.21480 (6) 0.72438 (14) −0.15032 (5) 0.0419 (3)
O2B 0.46711 (6) 0.54980 (13) 0.09792 (6) 0.0280 (3)
N1B 0.41539 (7) 0.70320 (16) −0.00875 (7) 0.0278 (3)
N3B 0.33298 (7) 0.53026 (15) 0.02705 (7) 0.0261 (3)
N4B 0.19773 (8) 0.51382 (18) −0.04738 (8) 0.0328 (4)
C2B 0.40666 (8) 0.59203 (17) 0.04058 (8) 0.0240 (4)
C4B 0.26965 (9) 0.57389 (18) −0.03540 (8) 0.0259 (4)
C5B 0.27992 (9) 0.68402 (19) −0.08772 (8) 0.0285 (4)
C6B 0.35239 (9) 0.74902 (19) −0.07308 (8) 0.0298 (4)
H2A 0.4807 (12) 0.294 (3) 0.1263 (11) 0.037 (5)*
H2B 0.4701 (12) 0.135 (3) 0.0868 (12) 0.042 (5)*
H4A 0.5134 (13) −0.381 (3) 0.2935 (11) 0.048 (6)*
H4A1 0.3799 (13) 0.308 (3) 0.1947 (11) 0.040 (5)*
H1A 0.07100 0.14180 0.12550 0.0380*
H4A2 0.3380 (13) 0.418 (3) 0.1253 (13) 0.049 (6)*
H6A 0.17710 0.04390 0.22640 0.0400*
H1B 0.46300 0.74610 0.00150 0.0330*
H4B1 0.1965 (13) 0.453 (3) −0.0107 (12) 0.047 (6)*
H4B2 0.1569 (13) 0.543 (3) −0.0874 (13) 0.045 (6)*
H6B 0.35960 0.82540 −0.10690 0.0360*