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. 2018 Sep 11;74(Pt 10):1405–1410. doi: 10.1107/S205698901801232X
x y z Uiso*/Ueq
Mn1 0.500000 0.500000 0.500000 0.02633 (15)
C1 0.9223 (3) 0.1967 (3) 0.5954 (3) 0.0385 (7)
O1 0.66323 (19) 0.2610 (2) 0.58767 (17) 0.0294 (4)
N1 0.7920 (3) 0.2213 (2) 0.6544 (2) 0.0306 (5)
C2 1.0513 (4) 0.1617 (4) 0.6641 (4) 0.0526 (9)
H2 1.143547 0.147895 0.624004 0.063*
O2 0.6422 (2) 0.5705 (2) 0.35280 (18) 0.0405 (5)
Mn2 0.54423 (4) 0.10659 (4) 0.65107 (4) 0.02574 (12)
C3 1.0472 (4) 0.1465 (4) 0.7900 (4) 0.0559 (9)
H3 1.135892 0.121710 0.836731 0.067*
O3 0.5590 (2) 0.80401 (19) 0.20131 (16) 0.0292 (4)
Mn3 0.500000 0.000000 1.000000 0.02716 (15)
C4 0.9121 (4) 0.1680 (4) 0.8465 (3) 0.0446 (8)
H4 0.907481 0.155806 0.933430 0.053*
O4 0.3972 (3) 0.4521 (2) 0.37791 (19) 0.0434 (5)
O5 0.3654 (2) 0.2403 (2) 0.49693 (19) 0.0389 (5)
C5 0.7842 (4) 0.2072 (3) 0.7767 (3) 0.0375 (7)
H5 0.690486 0.224241 0.814678 0.045*
C6 0.9159 (4) 0.2095 (4) 0.4616 (3) 0.0518 (9)
H6A 0.866513 0.147157 0.458109 0.078*
H6B 1.018458 0.174165 0.434390 0.078*
H6C 0.858321 0.315728 0.404389 0.078*
O6 0.7494 (2) −0.0675 (2) 0.76008 (18) 0.0411 (5)
C7 0.6334 (3) 0.6596 (3) 0.2404 (2) 0.0292 (6)
O7 0.7340 (2) −0.0951 (2) 0.96318 (18) 0.0391 (5)
O8 0.4469 (2) −0.0610 (2) 0.72192 (18) 0.0381 (5)
C8 0.7129 (5) 0.5940 (4) 0.1464 (3) 0.0695 (13)
H8A 0.651688 0.650930 0.064547 0.104*
H8C 0.728199 0.487456 0.179635 0.104*
H8B 0.810839 0.600750 0.133554 0.104*
O9 0.4385 (3) −0.1325 (2) 0.93300 (18) 0.0417 (5)
C9 0.3347 (4) 0.3642 (3) 0.4000 (3) 0.0388 (7)
C10 0.2131 (5) 0.4060 (4) 0.3031 (4) 0.0752 (13)
H10A 0.227713 0.316316 0.288714 0.113*
H10B 0.218744 0.485502 0.222086 0.113*
H10C 0.113896 0.443323 0.335646 0.113*
O10 0.6635 (2) 0.0116 (2) 0.50856 (19) 0.0347 (5)
H10D 0.669 (4) −0.076 (2) 0.529 (3) 0.052*
H10E 0.615 (4) 0.054 (4) 0.436 (2) 0.052*
C11 0.8010 (3) −0.1286 (3) 0.8738 (3) 0.0324 (6)
C12 0.9586 (4) −0.2532 (5) 0.9039 (3) 0.0574 (10)
H12B 1.028728 −0.212929 0.850872 0.086*
H12C 0.959934 −0.336348 0.885672 0.086*
H12A 0.989418 −0.291080 0.994697 0.086*
C13 0.4250 (3) −0.1437 (3) 0.8312 (3) 0.0299 (6)
C14 0.3769 (5) −0.2656 (4) 0.8398 (3) 0.0583 (10)
H14A 0.291205 −0.220931 0.777399 0.087*
H14C 0.347239 −0.310285 0.926417 0.087*
H14B 0.461132 −0.344649 0.821308 0.087*