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. 2019 Oct 29;75(Pt 11):1759–1762. doi: 10.1107/S2056989019014142
x y z Uiso*/Ueq Occ. (<1)
Zn1 0.02528 (5) 0.13460 (5) 0.62683 (3) 0.02329 (12)
O1 −0.0138 (3) 0.0539 (3) 0.8118 (2) 0.0495 (7)
O2 −0.1959 (3) 0.1010 (3) 0.68613 (17) 0.0311 (5)
O3 0.0472 (2) −0.1661 (2) 0.52376 (16) 0.0249 (5)
O4 0.1080 (3) 0.3581 (3) 0.68413 (19) 0.0376 (6)
O5 0.2353 (2) 0.0121 (2) 0.60995 (16) 0.0267 (5)
C1 −0.1604 (4) 0.0679 (4) 0.7800 (3) 0.0292 (8)
C2 −0.3060 (4) 0.0478 (4) 0.8506 (2) 0.0229 (7)
C3 −0.4729 (4) 0.0766 (4) 0.8157 (3) 0.0259 (7)
H3 −0.491459 0.106685 0.746526 0.031*
C4 −0.6065 (4) 0.0621 (4) 0.8792 (2) 0.0253 (7)
H4 −0.716770 0.083839 0.854527 0.030*
C5 −0.5832 (3) 0.0151 (3) 0.9818 (2) 0.0204 (7)
C6 −0.7197 (4) −0.0032 (4) 1.0501 (2) 0.0247 (7)
H6 −0.831308 0.016042 1.026474 0.030*
C7 0.1971 (4) −0.1257 (4) 0.5574 (2) 0.0232 (7)
C8 0.3342 (4) −0.2464 (4) 0.5386 (2) 0.0231 (7)
C9 0.2888 (4) −0.4062 (4) 0.5012 (2) 0.0266 (7)
H9 0.173329 −0.437095 0.484564 0.032*
C10 0.4136 (4) −0.5243 (4) 0.4875 (2) 0.0241 (7)
C11 0.5046 (4) −0.1977 (4) 0.5621 (3) 0.0281 (8)
H11 0.534020 −0.086805 0.587033 0.034*
C12 0.6283 (4) −0.3091 (4) 0.5492 (3) 0.0285 (8)
H12 0.743193 −0.274861 0.564835 0.034*
C13 0.2535 (5) 0.4026 (4) 0.7188 (3) 0.0369 (9)
H13 0.341309 0.327989 0.705702 0.044*
C14 0.1574 (6) 0.6627 (5) 0.7929 (4) 0.0628 (13)
H14A 0.078313 0.652571 0.729974 0.075*
H14B 0.208053 0.774681 0.803717 0.075*
C15 0.0611 (7) 0.6341 (6) 0.8898 (4) 0.0970 (18)
H15A 0.013080 0.522378 0.879973 0.145*
H15B −0.030364 0.710761 0.899858 0.145*
H15C 0.137829 0.650364 0.952935 0.145*
N1 0.2922 (4) 0.5454 (4) 0.7719 (2) 0.0448 (8)
C16 0.4576 (17) 0.6215 (19) 0.815 (2) 0.061 (4) 0.516 (8)
H16A 0.487379 0.713730 0.775639 0.074* 0.516 (8)
H16B 0.447852 0.665014 0.890959 0.074* 0.516 (8)
C17 0.5911 (12) 0.5053 (11) 0.8035 (8) 0.065 (3) 0.516 (8)
H17A 0.563272 0.415235 0.843378 0.098* 0.516 (8)
H17B 0.698301 0.559271 0.831750 0.098* 0.516 (8)
H17C 0.601884 0.462995 0.727791 0.098* 0.516 (8)
C16' 0.4774 (18) 0.575 (2) 0.8054 (19) 0.062 (4) 0.484 (8)
H16C 0.544874 0.496333 0.760003 0.074* 0.484 (8)
H16D 0.513676 0.685674 0.792220 0.074* 0.484 (8)
C17' 0.5149 (13) 0.5600 (11) 0.9178 (7) 0.074 (3) 0.484 (8)
H17D 0.426986 0.611745 0.962205 0.110* 0.484 (8)
H17E 0.625043 0.613689 0.939854 0.110* 0.484 (8)
H17F 0.517878 0.444637 0.926528 0.110* 0.484 (8)