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. 2022 Apr 5;78(Pt 5):481–484. doi: 10.1107/S2056989022003449
x y z Uiso*/Ueq
Zn1 0.31800 (2) 0.46454 (3) 0.54363 (2) 0.00759 (6)
O1 0.36049 (10) 0.62987 (16) 0.47301 (9) 0.0114 (3)
O2 0.31034 (13) 0.30400 (19) 0.45168 (11) 0.0159 (3)
H2O 0.276 (2) 0.240 (3) 0.4386 (19) 0.027 (9)*
H2P 0.350 (2) 0.281 (4) 0.439 (2) 0.043 (11)*
O3 0.44977 (11) 0.3899 (2) 0.60794 (10) 0.0125 (3)
H3O 0.4493 (17) 0.310 (3) 0.6204 (16) 0.012 (7)*
H3P 0.478 (2) 0.433 (3) 0.653 (2) 0.027 (8)*
O4 0.27068 (12) 0.31855 (17) 0.62168 (10) 0.0107 (3)
H4O 0.2351 (18) 0.260 (3) 0.6034 (16) 0.012 (7)*
H4P 0.311 (2) 0.274 (3) 0.6540 (19) 0.026 (8)*
O5 0.32040 (12) 0.64584 (19) 0.62565 (10) 0.0147 (3)
H5O 0.338 (2) 0.648 (4) 0.679 (2) 0.037 (9)*
H5P 0.309 (2) 0.728 (4) 0.609 (2) 0.041 (10)*
O6 0.17863 (11) 0.51996 (18) 0.48529 (10) 0.0107 (3)
H6O 0.1613 (18) 0.600 (3) 0.4584 (16) 0.025 (8)*
H6P 0.1389 (16) 0.463 (3) 0.4648 (17) 0.018 (7)*
C1 0.31089 (15) 0.6545 (2) 0.39870 (13) 0.0127 (4)
H1 0.267624 0.577353 0.372375 0.015*
N1 0.31404 (12) 0.7783 (2) 0.35441 (11) 0.0126 (4)
C2 0.37449 (17) 0.9071 (3) 0.38953 (16) 0.0207 (5)
H2A 0.339767 0.991473 0.403582 0.031*
H2B 0.402328 0.943400 0.348019 0.031*
H2C 0.422078 0.873260 0.440631 0.031*
C3 0.24580 (16) 0.8028 (3) 0.27197 (15) 0.0230 (5)
H3A 0.208105 0.710072 0.255621 0.035*
H3B 0.276127 0.823842 0.229986 0.035*
H3C 0.207451 0.891060 0.275052 0.035*
V1 0.66396 (2) 0.54542 (4) 0.97966 (2) 0.00519 (8)
V2 0.48442 (2) 0.68753 (4) 0.99591 (2) 0.00468 (8)
V3 0.54965 (2) 0.33633 (4) 0.83349 (2) 0.00615 (8)
V4 0.37025 (2) 0.46974 (4) 0.84932 (2) 0.00550 (8)
V5 0.51936 (2) 0.68687 (4) 0.82367 (2) 0.00627 (8)
O7 0.63516 (9) 0.70057 (15) 0.90117 (8) 0.0068 (3)
O8 0.48640 (9) 0.80713 (15) 0.91677 (8) 0.0066 (3)
O9 0.76998 (9) 0.57672 (15) 1.03142 (9) 0.0079 (3)
O10 0.60927 (9) 0.67399 (15) 1.05199 (8) 0.0057 (3)
O11 0.45500 (9) 0.79640 (15) 1.06789 (8) 0.0066 (3)
O12 0.57404 (10) 0.20530 (16) 0.77742 (9) 0.0102 (3)
O13 0.42410 (9) 0.32537 (15) 0.79962 (8) 0.0067 (3)
O14 0.26409 (10) 0.43520 (16) 0.80457 (9) 0.0096 (3)
O15 0.66637 (9) 0.39324 (15) 0.90763 (8) 0.0068 (3)
O16 0.51531 (9) 0.50621 (14) 0.92593 (8) 0.0055 (3)
O17 0.36261 (9) 0.60759 (15) 0.94154 (8) 0.0061 (3)
O18 0.54495 (10) 0.51674 (15) 0.77235 (9) 0.0072 (3)
O19 0.39504 (9) 0.63135 (15) 0.79227 (8) 0.0070 (3)
O20 0.51633 (10) 0.82531 (16) 0.75840 (9) 0.0107 (3)
N2 0.13802 (14) 0.5436 (2) 0.65462 (12) 0.0091 (4)
H2R 0.0918 (19) 0.476 (3) 0.6319 (17) 0.017 (7)*
H2S 0.176 (2) 0.502 (3) 0.691 (2) 0.024 (8)*
H2T 0.1165 (18) 0.620 (3) 0.6764 (16) 0.019 (7)*
H2Q 0.165 (2) 0.572 (3) 0.618 (2) 0.031 (8)*
O21 0.41424 (12) 0.08923 (19) 0.64987 (12) 0.0191 (4)
H21A 0.446 (2) 0.032 (3) 0.6837 (18) 0.036 (9)*
H21B 0.3783 (19) 0.042 (3) 0.6175 (18) 0.037 (10)*
O22 0.46542 (13) 0.2601 (2) 0.41289 (12) 0.0260 (4)
H22A 0.472 (2) 0.250 (4) 0.3693 (16) 0.040 (10)*
H22B 0.5092 (18) 0.296 (4) 0.4460 (18) 0.039 (10)*