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. 2021 Mar 26;77(Pt 4):433–445. doi: 10.1107/S2056989021002991
U11 U22 U33 U12 U13 U23
Br1 0.0824 (4) 0.0920 (5) 0.0923 (5) −0.0330 (3) 0.0492 (4) 0.0030 (4)
O1 0.0317 (11) 0.0322 (12) 0.0336 (12) 0.0002 (10) 0.0051 (10) −0.0007 (10)
O2 0.0427 (13) 0.0362 (13) 0.0312 (13) 0.0063 (10) 0.0106 (11) −0.0011 (10)
O3 0.0404 (14) 0.0510 (16) 0.0496 (16) −0.0108 (13) 0.0203 (13) −0.0087 (13)
O4 0.0459 (15) 0.089 (2) 0.0337 (14) −0.0255 (16) 0.0139 (12) −0.0177 (16)
O5 0.0492 (16) 0.082 (2) 0.0334 (14) −0.0239 (16) 0.0148 (12) −0.0089 (15)
O6 0.0356 (13) 0.0453 (15) 0.0565 (17) −0.0048 (12) 0.0127 (12) 0.0015 (14)
N1 0.0260 (13) 0.0298 (13) 0.0302 (14) 0.0031 (11) 0.0070 (11) 0.0032 (12)
N2 0.0307 (14) 0.0485 (18) 0.0224 (13) 0.0099 (13) 0.0054 (11) −0.0009 (13)
C1 0.0298 (15) 0.0347 (17) 0.0240 (15) 0.0022 (13) 0.0060 (13) 0.0035 (14)
C2 0.0278 (15) 0.0303 (16) 0.0275 (16) 0.0045 (12) 0.0056 (13) −0.0004 (13)
C3 0.0282 (15) 0.0314 (15) 0.0231 (15) 0.0043 (13) 0.0062 (12) 0.0011 (13)
C4 0.0320 (16) 0.0317 (16) 0.0247 (15) 0.0066 (13) 0.0072 (13) 0.0016 (13)
C5 0.0270 (16) 0.044 (2) 0.045 (2) 0.0047 (14) 0.0143 (15) 0.0101 (17)
C6 0.0380 (18) 0.0365 (18) 0.0315 (17) 0.0084 (15) 0.0085 (15) 0.0090 (16)
C7 0.0342 (16) 0.0324 (17) 0.0222 (15) 0.0123 (13) 0.0083 (13) 0.0030 (13)
C8 0.0397 (18) 0.0392 (18) 0.0273 (16) 0.0089 (16) 0.0070 (14) −0.0010 (15)
C9 0.057 (2) 0.044 (2) 0.0264 (17) 0.0229 (19) 0.0123 (16) 0.0017 (16)
C10 0.052 (2) 0.044 (2) 0.040 (2) 0.0228 (18) 0.0229 (18) 0.0118 (18)
C11 0.0384 (18) 0.046 (2) 0.042 (2) 0.0151 (16) 0.0202 (16) 0.0127 (17)
C12 0.045 (2) 0.061 (3) 0.065 (3) 0.012 (2) 0.029 (2) 0.018 (2)
C13 0.040 (2) 0.057 (3) 0.075 (3) −0.0041 (19) 0.023 (2) 0.007 (3)
C14 0.0392 (19) 0.045 (2) 0.055 (2) −0.0032 (16) 0.0099 (18) 0.0038 (19)
C15 0.0373 (18) 0.0398 (19) 0.0357 (19) 0.0027 (15) 0.0108 (15) 0.0031 (16)
C16 0.0306 (16) 0.0357 (17) 0.0293 (16) 0.0075 (14) 0.0095 (13) 0.0040 (14)
C17 0.0342 (17) 0.0414 (19) 0.0275 (16) 0.0115 (15) 0.0105 (14) 0.0094 (16)
C18 0.047 (2) 0.0392 (19) 0.043 (2) 0.0153 (17) 0.0190 (17) 0.0099 (17)
C19 0.062 (3) 0.044 (2) 0.069 (3) 0.021 (2) 0.031 (2) 0.011 (2)
C20 0.066 (3) 0.070 (3) 0.063 (3) 0.044 (3) 0.029 (2) 0.023 (3)
C21 0.044 (2) 0.099 (4) 0.054 (3) 0.035 (3) 0.011 (2) 0.018 (3)
C22 0.0377 (19) 0.066 (3) 0.0372 (19) 0.0149 (19) 0.0075 (16) 0.006 (2)
C23 0.0257 (15) 0.0408 (18) 0.0225 (15) 0.0070 (14) 0.0045 (12) 0.0018 (14)
C24 0.0319 (16) 0.0405 (19) 0.0247 (15) 0.0064 (15) 0.0092 (13) 0.0016 (15)
C25 0.0291 (16) 0.053 (2) 0.0238 (15) 0.0030 (16) 0.0038 (13) 0.0018 (16)
C26 0.0382 (19) 0.056 (2) 0.0350 (19) −0.0059 (18) 0.0094 (16) 0.0017 (19)
C27 0.040 (2) 0.079 (3) 0.036 (2) −0.019 (2) 0.0122 (17) 0.002 (2)
C28 0.0354 (19) 0.089 (3) 0.0308 (18) −0.010 (2) 0.0126 (16) −0.004 (2)
C29 0.0325 (18) 0.074 (3) 0.0251 (17) 0.0032 (18) 0.0075 (14) −0.0065 (19)
C30 0.0286 (16) 0.056 (2) 0.0199 (15) 0.0046 (16) 0.0025 (13) −0.0013 (16)
C31 0.0303 (16) 0.0412 (18) 0.0203 (15) 0.0076 (14) 0.0057 (13) 0.0024 (14)
C32 0.055 (2) 0.041 (2) 0.055 (3) 0.0068 (19) 0.016 (2) −0.009 (2)
C33 0.0380 (18) 0.0346 (18) 0.0379 (18) −0.0070 (15) 0.0133 (15) −0.0048 (16)
C34 0.0439 (19) 0.0418 (19) 0.0281 (17) −0.0080 (16) 0.0114 (15) −0.0054 (15)
C35 0.0365 (18) 0.042 (2) 0.0298 (17) −0.0049 (15) 0.0059 (15) −0.0035 (16)
C36 0.0394 (18) 0.0325 (18) 0.040 (2) −0.0046 (15) 0.0117 (16) 0.0009 (15)
O7 0.109 (15) 0.086 (13) 0.146 (19) 0.007 (10) 0.073 (14) 0.001 (12)
O8 0.32 (7) 0.14 (3) 0.33 (7) 0.000 −0.07 (5) 0.000