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. 2020 Sep 30;76(Pt 10):1694–1698. doi: 10.1107/S2056989020012712
U11 U22 U33 U12 U13 U23
Br1 0.0746 (3) 0.0552 (2) 0.0497 (2) 0.01350 (18) 0.00753 (16) −0.00653 (16)
N1 0.0476 (14) 0.0418 (14) 0.0449 (14) 0.0098 (11) 0.0133 (12) 0.0017 (11)
N2 0.0505 (14) 0.0416 (14) 0.0405 (13) 0.0138 (12) 0.0077 (11) −0.0006 (11)
N3 0.0609 (17) 0.0538 (16) 0.0409 (14) 0.0202 (13) 0.0086 (12) 0.0019 (12)
N4 0.069 (2) 0.065 (2) 0.078 (2) −0.0069 (16) 0.0321 (17) −0.0073 (17)
O1 0.086 (2) 0.079 (2) 0.104 (2) −0.0168 (16) 0.0357 (17) −0.0018 (18)
S1 0.0531 (5) 0.0452 (4) 0.0473 (4) 0.0140 (4) 0.0095 (3) 0.0008 (4)
C1 0.0604 (19) 0.0461 (19) 0.0471 (18) 0.0104 (15) 0.0094 (15) −0.0076 (14)
C2 0.0498 (18) 0.0444 (17) 0.0476 (17) 0.0037 (14) 0.0147 (14) −0.0016 (14)
C3 0.0442 (16) 0.0406 (16) 0.0413 (17) 0.0064 (13) 0.0113 (13) 0.0000 (13)
C4 0.0479 (18) 0.0434 (17) 0.0497 (18) 0.0040 (14) 0.0102 (15) −0.0016 (14)
C5 0.0430 (16) 0.0447 (17) 0.0470 (17) 0.0054 (14) 0.0115 (13) 0.0078 (14)
C6 0.072 (2) 0.056 (2) 0.0482 (19) 0.0137 (18) 0.0048 (16) 0.0026 (16)
C7 0.070 (2) 0.072 (2) 0.054 (2) 0.023 (2) 0.0047 (17) 0.0182 (19)
C8 0.0527 (19) 0.0461 (18) 0.064 (2) 0.0116 (15) 0.0239 (16) 0.0149 (16)
C9 0.0494 (18) 0.0470 (19) 0.062 (2) 0.0054 (15) 0.0219 (16) −0.0039 (15)
C10 0.0431 (17) 0.0530 (19) 0.0463 (17) 0.0099 (15) 0.0112 (13) 0.0016 (15)
C11 0.084 (3) 0.058 (2) 0.091 (3) 0.028 (2) 0.032 (2) 0.022 (2)
C12 0.0468 (17) 0.0408 (16) 0.0432 (17) 0.0035 (14) 0.0086 (13) −0.0027 (13)
C13 0.0511 (19) 0.050 (2) 0.071 (2) −0.0044 (16) 0.0246 (17) −0.0015 (17)
C14 0.072 (2) 0.054 (2) 0.096 (3) 0.0031 (19) 0.042 (2) −0.016 (2)
C15 0.082 (3) 0.044 (2) 0.094 (3) −0.0072 (19) 0.030 (2) −0.0156 (19)
C16 0.068 (2) 0.060 (2) 0.090 (3) −0.021 (2) 0.025 (2) −0.010 (2)
C17 0.053 (2) 0.065 (2) 0.077 (2) −0.0029 (18) 0.0293 (18) −0.0042 (19)
C18 0.068 (2) 0.086 (3) 0.073 (3) −0.008 (2) 0.023 (2) −0.007 (2)
C19 0.089 (3) 0.090 (3) 0.092 (3) −0.002 (3) 0.018 (2) −0.026 (3)
C20 0.142 (5) 0.082 (3) 0.139 (5) −0.005 (3) 0.079 (4) 0.021 (3)