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. 2021 Jan 19;77(Pt 2):142–147. doi: 10.1107/S2056989021000517
U11 U22 U33 U12 U13 U23
C1_1 0.0101 (7) 0.0156 (8) 0.0101 (7) −0.0009 (6) 0.0028 (6) 0.0013 (6)
C2_1 0.0106 (7) 0.0147 (8) 0.0129 (8) 0.0023 (6) 0.0025 (6) 0.0004 (6)
C3_1 0.0098 (7) 0.0192 (9) 0.0149 (8) −0.0008 (6) 0.0056 (6) −0.0029 (6)
C4_1 0.0145 (7) 0.0159 (8) 0.0136 (8) −0.0029 (6) 0.0067 (6) −0.0001 (6)
C5_1 0.0125 (7) 0.0144 (8) 0.0112 (7) 0.0003 (6) 0.0047 (6) 0.0006 (6)
C6_1 0.0096 (6) 0.0169 (8) 0.0100 (7) −0.0002 (6) 0.0036 (5) 0.0014 (6)
C7_1 0.0114 (7) 0.0148 (8) 0.0117 (7) −0.0008 (6) 0.0021 (6) 0.0018 (6)
C8_1 0.0180 (8) 0.0172 (9) 0.0132 (8) 0.0019 (6) 0.0044 (6) 0.0027 (6)
N1_1 0.0121 (6) 0.0217 (8) 0.0110 (7) −0.0047 (6) −0.0002 (5) 0.0043 (6)
N2_1 0.0125 (7) 0.0239 (8) 0.0230 (8) −0.0019 (6) 0.0098 (6) −0.0043 (7)
O1_1 0.0169 (6) 0.0276 (8) 0.0127 (6) −0.0077 (5) −0.0025 (5) 0.0069 (5)
O2_1 0.0109 (6) 0.0605 (12) 0.0298 (9) −0.0005 (7) 0.0050 (6) −0.0026 (8)
O3_1 0.0263 (8) 0.0415 (10) 0.0304 (9) −0.0029 (7) 0.0205 (7) −0.0020 (7)
F1_1 0.0434 (8) 0.0258 (7) 0.0223 (7) 0.0154 (6) 0.0047 (6) −0.0048 (5)
F2_1 0.0139 (5) 0.0323 (7) 0.0436 (8) 0.0049 (5) 0.0037 (5) 0.0153 (6)
F3_1 0.0354 (7) 0.0270 (7) 0.0234 (6) 0.0068 (5) 0.0142 (6) 0.0130 (5)
Cl1_1 0.0176 (2) 0.0227 (2) 0.0252 (2) 0.00890 (17) 0.00511 (17) 0.00489 (19)
C1_2 0.0086 (6) 0.0147 (8) 0.0101 (7) −0.0017 (5) 0.0024 (5) −0.0005 (6)
C2_2 0.0095 (7) 0.0151 (8) 0.0134 (7) 0.0007 (6) 0.0031 (6) −0.0004 (6)
C3_2 0.0089 (7) 0.0192 (8) 0.0136 (8) −0.0023 (6) 0.0045 (6) −0.0019 (6)
C4_2 0.0146 (7) 0.0167 (8) 0.0151 (8) −0.0037 (6) 0.0048 (6) 0.0016 (6)
C5_2 0.0109 (7) 0.0162 (8) 0.0168 (8) 0.0001 (6) 0.0029 (6) 0.0019 (7)
C6_2 0.0083 (6) 0.0159 (8) 0.0146 (8) −0.0003 (6) 0.0026 (6) 0.0005 (6)
C7_2 0.0102 (7) 0.0146 (8) 0.0107 (7) −0.0016 (6) 0.0019 (6) 0.0011 (6)
C8_2 0.0194 (9) 0.0207 (10) 0.0305 (11) 0.0040 (7) 0.0086 (8) 0.0068 (8)
N1_2 0.0116 (6) 0.0181 (8) 0.0125 (7) −0.0037 (5) 0.0002 (5) 0.0045 (6)
N2_2 0.0142 (7) 0.0198 (8) 0.0191 (8) −0.0033 (6) 0.0093 (6) −0.0028 (6)
O1_2 0.0141 (6) 0.0241 (7) 0.0133 (6) −0.0044 (5) −0.0021 (5) 0.0067 (5)
O2_2 0.0105 (6) 0.0394 (9) 0.0249 (8) −0.0017 (6) 0.0051 (5) −0.0017 (7)
O3_2 0.0236 (7) 0.0350 (9) 0.0215 (7) −0.0059 (6) 0.0143 (6) 0.0006 (6)
F1_2 0.0288 (9) 0.0234 (9) 0.168 (3) 0.0095 (7) 0.0429 (14) 0.0400 (13)
F2_2 0.0442 (10) 0.0398 (11) 0.0407 (10) 0.0245 (8) 0.0235 (9) 0.0100 (8)
F3_2 0.0489 (13) 0.0597 (14) 0.0341 (10) 0.0336 (11) −0.0113 (8) −0.0033 (9)
F1'_2 0.0288 (9) 0.0234 (9) 0.168 (3) 0.0095 (7) 0.0429 (14) 0.0400 (13)
F2'_2 0.0442 (10) 0.0398 (11) 0.0407 (10) 0.0245 (8) 0.0235 (9) 0.0100 (8)
F3'_2 0.0489 (13) 0.0597 (14) 0.0341 (10) 0.0336 (11) −0.0113 (8) −0.0033 (9)
Cl1_2 0.0173 (2) 0.0205 (2) 0.0365 (3) 0.00767 (17) 0.01266 (19) 0.0078 (2)