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. 2019 Feb 22;75(Pt 3):378–382. doi: 10.1107/S2056989019002378
x y z Uiso*/Ueq
La1 0.75090 (2) 0.52031 (2) 0.47969 (2) 0.02048 (7)
O5 0.4472 (3) 0.3677 (2) 0.4069 (2) 0.0332 (6)
O3 1.0575 (3) 0.5881 (3) 0.6253 (2) 0.0323 (6)
O1 0.7627 (3) 0.3041 (3) 0.5311 (2) 0.0336 (6)
O6 0.8146 (3) 0.7579 (3) 0.6435 (3) 0.0362 (6)
O2 0.7422 (3) 0.4674 (3) 0.6736 (2) 0.0351 (6)
O4 0.6840 (3) 0.3616 (3) 0.2490 (2) 0.0415 (7)
O7 0.5690 (4) 0.5882 (4) 0.3233 (3) 0.0486 (8)
H7A 0.468 (3) 0.558 (4) 0.307 (5) 0.058*
H7B 0.591 (5) 0.651 (4) 0.302 (5) 0.058*
O8 0.9316 (4) 0.7051 (3) 0.4326 (4) 0.0503 (8)
H8A 0.947 (6) 0.785 (3) 0.470 (4) 0.060*
H8B 1.026 (4) 0.712 (4) 0.435 (5) 0.060*
C6 0.6834 (4) 0.7426 (3) 0.6621 (3) 0.0260 (7)
C11 0.8165 (4) 0.3436 (3) 0.2659 (3) 0.0261 (7)
C1 0.7640 (4) 0.3589 (4) 0.6405 (4) 0.0315 (8)
C13 0.6579 (5) 0.1147 (4) 0.0739 (4) 0.0340 (9)
C12 0.8247 (5) 0.2382 (4) 0.1565 (4) 0.0390 (9)
H12A 0.857342 0.281262 0.102898 0.058*
H12B 0.910563 0.207990 0.192279 0.058*
C14 0.6017 (5) 0.0190 (4) 0.1196 (4) 0.0427 (10)
H14 0.669560 0.030195 0.201149 0.051*
C8 0.8472 (5) 0.9325 (4) 0.8881 (4) 0.0340 (9)
C10 0.9564 (5) 1.0646 (4) 0.9217 (4) 0.0433 (10)
H10 0.928413 1.109955 0.869797 0.052*
C15 0.5547 (5) 0.0946 (4) −0.0469 (4) 0.0412 (10)
H15 0.589046 0.157191 −0.080797 0.049*
C7 0.6832 (5) 0.8578 (4) 0.7675 (4) 0.0445 (11)
H7C 0.660724 0.923722 0.734480 0.067*
H7D 0.592152 0.819798 0.789973 0.067*
C9 0.8927 (6) 0.8687 (4) 0.9685 (4) 0.0461 (11)
H9 0.820475 0.779508 0.948162 0.055*
C3 0.8997 (5) 0.3972 (4) 0.8732 (4) 0.0392 (9)
C4 1.0738 (6) 0.4427 (5) 0.9267 (4) 0.0514 (11)
H4 1.125405 0.405378 0.878263 0.062*
C5 0.8281 (6) 0.4561 (5) 0.9477 (4) 0.0501 (11)
H5 0.711419 0.427472 0.913133 0.060*
C2 0.7931 (6) 0.2928 (4) 0.7347 (4) 0.0460 (10)
H2A 0.684726 0.235879 0.727251 0.069*
H2B 0.848359 0.233001 0.711571 0.069*
OW1 0.6313 (10) 0.0072 (5) 0.4440 (6) 0.1327 (17)
HW1A 0.589 (11) −0.025 (9) 0.491 (8) 0.159*
HW1B 0.639 (13) −0.072 (6) 0.411 (8) 0.159*
OW2 0.5351 (5) 0.6185 (4) 0.9718 (4) 0.0741 (11)
HW2A 0.476 (7) 0.639 (6) 0.920 (5) 0.111*
HW2B 0.622 (6) 0.678 (5) 1.033 (5) 0.111*
OW3 0.0357 (9) 0.0056 (6) 0.3870 (6) 0.1327 (17)
HW3A 0.059 (10) 0.059 (7) 0.354 (7) 0.159*
HW3B 0.122 (7) 0.023 (10) 0.447 (6) 0.159*
OW4 0.7105 (10) 0.7873 (7) 0.2433 (6) 0.154 (3)
HW4A 0.649 (10) 0.805 (11) 0.192 (8) 0.185*
HW4B 0.810 (5) 0.831 (11) 0.255 (10) 0.185*