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. 2024 Mar 26;80(Pt 4):430–434. doi: 10.1107/S2056989024002664
x y z Uiso*/Ueq
Cl1 0.22614 (6) −0.1052 (3) 0.52846 (14) 0.0525 (4)
O1 0.47152 (17) 0.8955 (8) 0.5839 (3) 0.0431 (9)
O2 0.3705 (2) 0.8166 (9) 0.3693 (4) 0.0522 (10)
O3 0.4279 (2) 0.5252 (9) 0.2694 (3) 0.0510 (10)
N1 0.3653 (2) 0.7081 (9) 0.7912 (4) 0.0376 (9)
N2 0.40226 (18) 0.5540 (8) 0.5727 (3) 0.0341 (8)
C1 0.3515 (2) 0.4330 (10) 0.6175 (4) 0.0328 (9)
C2 0.3181 (2) 0.2376 (10) 0.5565 (4) 0.0357 (10)
H2 0.329386 0.182454 0.481938 0.043*
C3 0.2688 (2) 0.1272 (10) 0.6067 (5) 0.0394 (11)
C4 0.2514 (3) 0.1981 (12) 0.7161 (5) 0.0442 (11)
H4 0.217756 0.115043 0.749633 0.053*
C5 0.2844 (3) 0.3931 (11) 0.7754 (5) 0.0444 (12)
H5 0.273074 0.444011 0.850445 0.053*
C6 0.3340 (2) 0.5161 (10) 0.7271 (4) 0.0364 (10)
C7 0.4108 (2) 0.8277 (10) 0.7453 (4) 0.0365 (10)
C8 0.4309 (2) 0.7692 (10) 0.6277 (4) 0.0346 (10)
C9 0.4464 (3) 1.0300 (12) 0.8123 (5) 0.0448 (12)
H9A 0.446634 1.211426 0.773475 0.067*
H9B 0.486658 0.960415 0.819087 0.067*
H9C 0.429315 1.051443 0.888356 0.067*
C10 0.4272 (2) 0.4636 (11) 0.4646 (4) 0.0370 (10)
H10A 0.418454 0.262610 0.453586 0.044*
H10B 0.470335 0.484805 0.467859 0.044*
C11 0.4041 (2) 0.6255 (10) 0.3634 (4) 0.0352 (10)
C12 0.4143 (4) 0.6646 (14) 0.1619 (5) 0.0614 (18)
H12A 0.449004 0.769649 0.134877 0.074*
H12B 0.381753 0.798883 0.173224 0.074*
C13 0.3973 (3) 0.4535 (14) 0.0764 (6) 0.0529 (14)
H13A 0.430353 0.326874 0.062697 0.079*
H13B 0.386631 0.547199 0.005148 0.079*
H13C 0.363703 0.346276 0.104623 0.079*