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. 2023 Sep 14;79(Pt 10):916–919. doi: 10.1107/S2056989023007831
U11 U22 U33 U12 U13 U23
Br1 0.0308 (3) 0.0207 (3) 0.0382 (4) 0.0033 (2) −0.0091 (2) −0.0047 (2)
Br2 0.0382 (4) 0.0181 (3) 0.0312 (3) 0.0032 (2) −0.0097 (2) −0.0045 (2)
O1 0.043 (2) 0.0208 (19) 0.038 (2) −0.0014 (17) 0.0242 (19) 0.0003 (16)
H1 0.08 (4) 0.03 (3) 0.04 (3) −0.024 (13) 0.033 (17) −0.006 (13)
O2 0.061 (3) 0.0176 (19) 0.056 (3) 0.0006 (18) 0.047 (2) 0.0001 (18)
O3 0.083 (4) 0.029 (2) 0.031 (2) 0.010 (2) 0.021 (2) 0.0072 (18)
O4 0.068 (3) 0.021 (2) 0.062 (3) 0.0039 (19) 0.048 (3) 0.0028 (19)
O5 0.027 (2) 0.026 (2) 0.089 (4) −0.0041 (17) 0.013 (2) −0.007 (2)
C4 0.023 (3) 0.015 (2) 0.025 (3) −0.0035 (19) 0.012 (2) −0.0007 (18)
C5 0.035 (3) 0.022 (3) 0.028 (3) 0.004 (2) 0.012 (2) 0.000 (2)
C3 0.026 (3) 0.019 (3) 0.040 (3) −0.002 (2) 0.009 (2) −0.002 (2)
C6 0.049 (4) 0.020 (3) 0.028 (3) 0.002 (2) 0.018 (3) 0.004 (2)
C2 0.026 (3) 0.024 (3) 0.050 (4) −0.005 (2) 0.016 (3) −0.001 (2)
C7 0.036 (3) 0.014 (2) 0.035 (3) 0.003 (2) 0.022 (2) −0.001 (2)
C1 0.043 (3) 0.015 (2) 0.040 (3) −0.001 (2) 0.026 (3) 0.003 (2)
C8 0.068 (5) 0.028 (3) 0.039 (4) 0.009 (3) 0.006 (3) 0.008 (3)
H00a 0.069 (13) 0.05 (3) 0.041 (11) 0.005 (8) 0.006 (6) 0.012 (7)
H00b 0.072 (15) 0.05 (2) 0.042 (7) 0.006 (8) 0.005 (5) 0.014 (5)
H00c 0.066 (17) 0.031 (15) 0.040 (12) 0.011 (8) 0.008 (6) 0.008 (6)
C10 0.050 (5) 0.028 (3) 0.077 (6) −0.005 (3) 0.016 (4) −0.009 (3)
H00d 0.054 (7) 0.06 (3) 0.082 (14) −0.012 (5) 0.015 (5) −0.003 (8)
H00e 0.053 (10) 0.05 (3) 0.078 (13) −0.008 (7) 0.016 (6) −0.010 (8)
H00f 0.063 (13) 0.036 (19) 0.079 (14) −0.003 (7) 0.018 (6) −0.007 (8)
C9 0.076 (6) 0.036 (4) 0.081 (6) 0.010 (3) 0.063 (5) 0.010 (4)
H00g 0.082 (12) 0.038 (11) 0.09 (2) 0.012 (5) 0.059 (8) 0.008 (6)
H00h 0.081 (17) 0.033 (9) 0.073 (19) 0.012 (6) 0.070 (8) 0.003 (6)
H00i 0.10 (2) 0.041 (12) 0.092 (12) 0.008 (6) 0.051 (8) 0.007 (6)