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. 2024 Aug 30;80(Pt 9):986–992. doi: 10.1107/S2056989024008375
x y z Uiso*/Ueq
Ba1 0.000000 0.71083 (4) 0.46009 (2) 0.01511 (8)
O1 0.1246 (2) 0.2193 (6) 0.4964 (3) 0.0242 (6)
O2 0.3561 (3) 0.2641 (7) 0.7884 (4) 0.0338 (7)
N1 0.1548 (2) 0.3428 (7) 0.5958 (3) 0.0204 (6)
N2 0.3448 (3) −0.1379 (11) 0.5230 (4) 0.0392 (8)
N3 0.2319 (3) 0.6036 (9) 0.7971 (3) 0.0277 (6)
C1 0.2387 (3) 0.2447 (9) 0.6375 (4) 0.0191 (6)
C2 0.2979 (2) 0.0271 (9) 0.5748 (3) 0.0237 (7)
C3 0.2796 (2) 0.3730 (9) 0.7480 (3) 0.0216 (6)
O1W 0.000000 0.8440 (11) 0.7082 (5) 0.0446 (12)
O2W 0.000000 0.2093 (9) 0.2856 (4) 0.0284 (9)
O3W 0.000000 0.3577 (11) 0.8653 (4) 0.0304 (8)
H1 0.253 (5) 0.681 (12) 0.864 (4) 0.05 (2)*
H2 0.178 (3) 0.666 (9) 0.765 (5) 0.027 (12)*
H1W 0.000000 0.712 (13) 0.763 (7) 0.04 (3)*
H2W 0.000000 1.019 (8) 0.740 (6) 0.04 (2)*
H3W 0.0509 (10) 0.192 (17) 0.243 (5) 0.07 (3)*
H4W 0.0508 (10) 0.334 (15) 0.906 (5) 0.048 (18)*