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. 2023 Apr 14;79(Pt 5):458–464. doi: 10.1107/S2056989023003158
x y z Uiso*/Ueq
Si1 0.74622 (2) 0.28841 (2) 0.75077 (2) 0.01509 (6)
O1 0.93162 (5) 0.25935 (5) 0.85344 (5) 0.02192 (14)
O2 0.66166 (7) 0.30739 (6) 0.89526 (5) 0.02813 (17)
O3 0.72770 (6) 0.45724 (6) 0.65291 (5) 0.02471 (15)
O4 0.68036 (6) 0.15675 (7) 0.61688 (6) 0.03055 (19)
C1 0.86791 (7) 0.32761 (7) 0.81134 (6) 0.01724 (16)
C2 0.90373 (7) 0.41431 (7) 0.82338 (7) 0.02177 (18)
H2 0.871274 0.469549 0.798507 0.026*
C3 1.00352 (8) 0.41171 (8) 0.88241 (7) 0.0249 (2)
H3A 1.003889 0.437693 0.941784 0.030*
H3B 1.050636 0.446387 0.855916 0.030*
C4 1.02411 (7) 0.30597 (8) 0.88647 (7) 0.02419 (19)
H4A 1.070235 0.289812 0.849205 0.029*
H4B 1.052002 0.286370 0.948076 0.029*
C5 0.67360 (7) 0.24575 (7) 0.82938 (6) 0.01708 (16)
C6 0.63131 (8) 0.16312 (7) 0.83393 (7) 0.02348 (19)
H6 0.630973 0.112660 0.793750 0.028*
C7 0.58398 (9) 0.16119 (7) 0.91211 (8) 0.0264 (2)
H7A 0.616413 0.116278 0.957809 0.032*
H7B 0.514695 0.144991 0.893973 0.032*
C8 0.59827 (10) 0.26230 (8) 0.94469 (8) 0.0310 (2)
C9 0.67957 (7) 0.39005 (7) 0.69126 (6) 0.01753 (16)
C10 0.58506 (7) 0.40639 (8) 0.68000 (7) 0.02276 (18)
H10 0.540808 0.367188 0.701030 0.027*
C11 0.55907 (8) 0.49611 (8) 0.62906 (8) 0.0270 (2)
H11A 0.537713 0.544989 0.666015 0.032*
H11B 0.507913 0.485739 0.575246 0.032*
C12 0.65508 (8) 0.52240 (8) 0.60570 (7) 0.0257 (2)
H12A 0.649902 0.517179 0.541082 0.031*
H12B 0.672832 0.587780 0.623997 0.031*
C13 0.76134 (7) 0.19008 (7) 0.67562 (6) 0.01761 (16)
C14 0.84148 (7) 0.14317 (7) 0.67128 (6) 0.02059 (17)
H14 0.903761 0.156174 0.706378 0.025*
C15 0.81904 (8) 0.06663 (8) 0.60272 (7) 0.02422 (19)
H15A 0.827125 0.003588 0.630249 0.029*
H15B 0.860033 0.071638 0.558782 0.029*
C16 0.71307 (7) 0.08715 (8) 0.56085 (7) 0.02435 (19)
H16A 0.706698 0.111915 0.500114 0.029*
H16B 0.674129 0.029137 0.557871 0.029*
Si2 0.27704 (2) 0.32421 (2) 0.76377 (2) 0.01562 (6)
O5 0.09592 (6) 0.28846 (5) 0.65743 (5) 0.02374 (15)
O6 0.27220 (6) 0.47644 (6) 0.87285 (5) 0.02643 (16)
O7 0.21828 (7) 0.14802 (6) 0.81068 (5) 0.03273 (19)
O8 0.34396 (7) 0.33545 (6) 0.60778 (5) 0.02971 (18)
C17 0.15457 (7) 0.35882 (6) 0.70150 (6) 0.01701 (16)
C18 0.11405 (8) 0.44363 (7) 0.69027 (7) 0.02251 (18)
H18 0.143122 0.499966 0.716098 0.027*
C19 0.01501 (8) 0.43670 (7) 0.63035 (7) 0.02359 (19)
H19A 0.013165 0.466606 0.572297 0.028*
H19B −0.034782 0.465527 0.657760 0.028*
C20 0.00210 (7) 0.33032 (7) 0.62152 (7) 0.02269 (19)
H20A −0.045780 0.308461 0.654906 0.027*
H20B −0.020752 0.312609 0.558609 0.027*
C21 0.33102 (7) 0.42965 (7) 0.82634 (6) 0.01817 (16)
C22 0.41603 (8) 0.47116 (8) 0.83225 (8) 0.0262 (2)
H22 0.465781 0.449003 0.805262 0.031*
C23 0.42186 (8) 0.55853 (8) 0.88805 (9) 0.0290 (2)
C24 0.31965 (8) 0.56474 (7) 0.90322 (7) 0.02153 (18)
C25 0.26895 (7) 0.22739 (7) 0.84255 (6) 0.01758 (16)
C26 0.30693 (9) 0.22394 (8) 0.92899 (7) 0.0288 (2)
H26 0.343000 0.272690 0.962848 0.035*
C27 0.28359 (12) 0.13035 (9) 0.96465 (8) 0.0375 (3)
C28 0.20576 (9) 0.09462 (8) 0.88849 (8) 0.0285 (2)
H28A 0.213710 0.026545 0.879398 0.034*
H28B 0.140908 0.105698 0.900266 0.034*
C29 0.34752 (7) 0.28210 (7) 0.68322 (6) 0.01786 (16)
C30 0.39575 (7) 0.20199 (7) 0.68338 (7) 0.02305 (19)
H30 0.406776 0.157557 0.730256 0.028*
C31 0.43036 (8) 0.19189 (8) 0.59856 (8) 0.0278 (2)
C32 0.38774 (9) 0.28001 (8) 0.54776 (7) 0.0271 (2)
H32A 0.439067 0.316510 0.528906 0.033*
H32B 0.338577 0.262374 0.494472 0.033*
H23A 0.4712 (13) 0.5512 (12) 0.9465 (11) 0.041 (5)*
H23B 0.4341 (13) 0.6133 (13) 0.8545 (11) 0.041 (4)*
H8A 0.6292 (14) 0.2656 (14) 1.0055 (13) 0.052 (5)*
H8B 0.5353 (15) 0.2977 (14) 0.9324 (13) 0.053 (5)*
H27A 0.3448 (15) 0.0826 (15) 0.9746 (13) 0.059 (6)*
H27B 0.2664 (15) 0.1338 (15) 1.0187 (14) 0.061 (6)*
H31A 0.5013 (13) 0.1894 (13) 0.6088 (11) 0.040 (4)*
H31B 0.4046 (14) 0.1348 (14) 0.5651 (13) 0.050 (5)*
H24A 0.3158 (10) 0.5717 (11) 0.9629 (10) 0.024 (3)*
H24B 0.2840 (11) 0.6143 (11) 0.8672 (10) 0.030 (4)*