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. 2018 Nov 22;74(Pt 12):1862–1866. doi: 10.1107/S2056989018016109
U11 U22 U33 U12 U13 U23
C1 0.0196 (9) 0.0251 (10) 0.0234 (9) 0.0034 (7) 0.0012 (7) 0.0090 (8)
C2 0.0123 (8) 0.0167 (8) 0.0186 (8) −0.0008 (6) 0.0045 (6) 0.0024 (7)
C3 0.0137 (8) 0.0171 (8) 0.0203 (9) 0.0007 (6) 0.0043 (7) 0.0039 (7)
C4 0.0166 (9) 0.0232 (9) 0.0179 (9) 0.0004 (7) 0.0023 (7) 0.0026 (7)
C5 0.0207 (9) 0.0226 (9) 0.0217 (9) −0.0001 (7) 0.0058 (7) −0.0028 (7)
C6 0.0176 (9) 0.0164 (8) 0.0263 (10) 0.0015 (7) 0.0070 (7) 0.0008 (7)
C7 0.0120 (8) 0.0178 (8) 0.0214 (9) 0.0006 (6) 0.0041 (7) 0.0029 (7)
C8 0.0147 (8) 0.0160 (8) 0.0264 (9) 0.0016 (7) 0.0052 (7) 0.0050 (7)
C9 0.0240 (10) 0.0222 (9) 0.0266 (10) 0.0066 (8) 0.0093 (8) 0.0120 (8)
C10 0.0479 (14) 0.0233 (10) 0.0322 (12) 0.0106 (10) 0.0100 (10) 0.0101 (9)
C11 0.0564 (16) 0.0257 (11) 0.0414 (13) 0.0165 (11) 0.0133 (12) 0.0172 (10)
C12 0.0456 (14) 0.0345 (12) 0.0338 (12) 0.0181 (10) 0.0133 (10) 0.0212 (10)
C13 0.0358 (12) 0.0325 (11) 0.0253 (10) 0.0139 (9) 0.0115 (9) 0.0142 (9)
C14 0.0230 (9) 0.0246 (10) 0.0254 (10) 0.0082 (8) 0.0110 (8) 0.0130 (8)
C15 0.0263 (10) 0.0294 (10) 0.0183 (9) 0.0111 (8) 0.0084 (8) 0.0118 (8)
C16 0.0232 (9) 0.0265 (10) 0.0167 (9) 0.0087 (8) 0.0064 (7) 0.0060 (7)
C17 0.0275 (10) 0.0363 (11) 0.0157 (9) 0.0130 (9) 0.0065 (8) 0.0066 (8)
C18 0.0278 (10) 0.0358 (11) 0.0156 (9) 0.0116 (9) 0.0058 (8) −0.0001 (8)
C19 0.0221 (9) 0.0242 (9) 0.0203 (9) 0.0075 (7) 0.0068 (7) 0.0006 (7)
C20 0.0174 (8) 0.0227 (9) 0.0157 (8) 0.0059 (7) 0.0055 (7) 0.0044 (7)
C21 0.0158 (8) 0.0231 (9) 0.0152 (8) 0.0046 (7) 0.0054 (7) 0.0034 (7)
C22 0.0337 (11) 0.0204 (9) 0.0227 (9) 0.0112 (8) 0.0079 (8) 0.0051 (7)
C31 0.0365 (12) 0.0235 (10) 0.0281 (10) 0.0128 (9) 0.0128 (9) 0.0127 (8)
C32 0.0142 (8) 0.0209 (9) 0.0151 (8) −0.0010 (7) 0.0044 (6) 0.0032 (7)
C33 0.0182 (9) 0.0224 (9) 0.0162 (8) −0.0006 (7) 0.0049 (7) 0.0051 (7)
C34 0.0227 (10) 0.0272 (10) 0.0201 (9) 0.0010 (8) 0.0047 (7) 0.0105 (8)
C35 0.0248 (10) 0.0368 (11) 0.0152 (9) −0.0005 (8) 0.0038 (7) 0.0089 (8)
C36 0.0236 (10) 0.0349 (11) 0.0147 (9) −0.0006 (8) 0.0056 (7) 0.0013 (8)
C37 0.0163 (9) 0.0255 (9) 0.0162 (8) −0.0006 (7) 0.0040 (7) 0.0011 (7)
C38 0.0195 (9) 0.0268 (10) 0.0194 (9) 0.0008 (7) 0.0070 (7) −0.0049 (7)
C39 0.0132 (8) 0.0196 (9) 0.0311 (10) 0.0003 (7) 0.0073 (7) −0.0037 (8)
C40 0.0210 (10) 0.0288 (11) 0.0335 (11) 0.0024 (8) 0.0075 (8) −0.0077 (9)
C41 0.0241 (11) 0.0268 (11) 0.0467 (14) 0.0030 (8) 0.0110 (10) −0.0134 (10)
C42 0.0271 (11) 0.0215 (10) 0.0552 (15) 0.0063 (8) 0.0143 (10) −0.0046 (10)
C43 0.0240 (10) 0.0240 (10) 0.0418 (12) 0.0064 (8) 0.0111 (9) 0.0017 (9)
C44 0.0136 (8) 0.0193 (9) 0.0336 (11) 0.0008 (7) 0.0085 (8) −0.0020 (8)
C45 0.0185 (9) 0.0201 (9) 0.0315 (10) 0.0044 (7) 0.0069 (8) 0.0081 (8)
C46 0.0180 (9) 0.0271 (10) 0.0223 (9) 0.0051 (7) 0.0061 (7) 0.0092 (8)
C47 0.0287 (11) 0.0354 (11) 0.0287 (11) 0.0141 (9) 0.0082 (9) 0.0160 (9)
C48 0.0309 (11) 0.0510 (14) 0.0221 (10) 0.0184 (10) 0.0046 (9) 0.0156 (10)
C49 0.0239 (10) 0.0454 (13) 0.0178 (9) 0.0115 (9) 0.0032 (8) 0.0031 (9)
C50 0.0182 (9) 0.0305 (10) 0.0201 (9) 0.0086 (8) 0.0064 (7) 0.0046 (8)
C51 0.0133 (8) 0.0264 (9) 0.0173 (8) 0.0048 (7) 0.0046 (7) 0.0066 (7)
C52 0.0291 (11) 0.0359 (12) 0.0319 (11) 0.0050 (9) 0.0084 (9) −0.0106 (9)
C61 0.0646 (18) 0.0433 (14) 0.0188 (11) 0.0173 (13) −0.0060 (11) −0.0061 (10)
C62 0.0201 (9) 0.0229 (9) 0.0195 (9) 0.0061 (7) 0.0057 (7) 0.0006 (7)
C63 0.0237 (10) 0.0277 (10) 0.0207 (9) 0.0078 (8) 0.0058 (8) 0.0001 (8)
C64 0.0257 (10) 0.0277 (10) 0.0261 (10) 0.0035 (8) 0.0080 (8) −0.0053 (8)
C65 0.0299 (11) 0.0222 (10) 0.0343 (11) 0.0043 (8) 0.0125 (9) 0.0009 (8)
C66 0.0260 (10) 0.0257 (10) 0.0293 (10) 0.0068 (8) 0.0101 (8) 0.0068 (8)
C67 0.0194 (9) 0.0236 (9) 0.0230 (9) 0.0059 (7) 0.0076 (7) 0.0031 (7)
C68 0.0214 (9) 0.0270 (10) 0.0209 (9) 0.0097 (8) 0.0063 (7) 0.0071 (7)
C69 0.0184 (9) 0.0316 (10) 0.0173 (9) 0.0069 (8) 0.0030 (7) 0.0033 (8)
C70 0.0281 (11) 0.0350 (11) 0.0241 (10) 0.0106 (9) 0.0016 (8) 0.0074 (9)
C71 0.0327 (12) 0.0464 (14) 0.0218 (10) 0.0137 (10) −0.0020 (9) 0.0083 (9)
C72 0.0258 (11) 0.0457 (13) 0.0197 (10) 0.0089 (9) −0.0015 (8) −0.0002 (9)
C73 0.0214 (10) 0.0351 (11) 0.0208 (9) 0.0075 (8) 0.0019 (8) −0.0011 (8)
C74 0.0174 (9) 0.0315 (10) 0.0182 (9) 0.0071 (8) 0.0036 (7) 0.0027 (8)
C75 0.0231 (10) 0.0290 (10) 0.0194 (9) 0.0057 (8) 0.0036 (7) −0.0010 (8)
C76 0.0245 (10) 0.0251 (10) 0.0240 (10) 0.0075 (8) 0.0059 (8) 0.0019 (8)
C77 0.0328 (11) 0.0277 (11) 0.0289 (11) 0.0086 (9) 0.0056 (9) −0.0025 (8)
C78 0.0386 (13) 0.0240 (10) 0.0405 (13) 0.0118 (9) 0.0082 (10) 0.0005 (9)
C79 0.0308 (11) 0.0266 (10) 0.0344 (11) 0.0105 (9) 0.0060 (9) 0.0090 (9)
C80 0.0251 (10) 0.0254 (10) 0.0252 (10) 0.0056 (8) 0.0034 (8) 0.0052 (8)
C81 0.0238 (10) 0.0235 (10) 0.0243 (10) 0.0068 (8) 0.0048 (8) 0.0040 (8)
C82 0.0391 (13) 0.0318 (12) 0.0307 (12) 0.0076 (10) −0.0074 (10) 0.0110 (9)
C91 0.0268 (10) 0.0187 (9) 0.0299 (10) 0.0098 (8) 0.0077 (8) 0.0036 (8)
C92 0.0475 (15) 0.0749 (19) 0.0237 (11) 0.0415 (14) 0.0138 (10) 0.0202 (12)
C93 0.0250 (12) 0.0307 (13) 0.108 (3) 0.0047 (10) 0.0126 (14) −0.0171 (15)
C101 0.0227 (10) 0.0243 (10) 0.0259 (10) 0.0037 (8) 0.0061 (8) 0.0016 (8)
C102 0.068 (2) 0.0219 (12) 0.081 (2) 0.0044 (12) 0.0373 (17) 0.0059 (13)
C103 0.0339 (14) 0.0588 (18) 0.0582 (18) −0.0103 (12) 0.0206 (13) 0.0121 (14)
C110 0.0610 (18) 0.0378 (14) 0.0460 (16) 0.0085 (13) 0.0150 (13) 0.0151 (12)
C111 0.055 (2) 0.120 (3) 0.063 (2) 0.011 (2) 0.0313 (18) 0.032 (2)
C112 0.063 (2) 0.0597 (19) 0.0393 (15) −0.0102 (15) 0.0151 (14) 0.0039 (13)
C121 0.0257 (10) 0.0320 (11) 0.0178 (9) 0.0088 (8) 0.0072 (8) 0.0050 (8)
C131 0.0194 (9) 0.0208 (9) 0.0205 (9) 0.0063 (7) 0.0046 (7) 0.0026 (7)
C141 0.0299 (11) 0.0188 (9) 0.0167 (9) 0.0037 (8) 0.0019 (8) 0.0025 (7)
C151 0.0466 (14) 0.0459 (14) 0.0160 (9) 0.0193 (11) 0.0061 (9) 0.0082 (9)
C161 0.058 (5) 0.035 (4) 0.0200 (16) 0.028 (3) 0.004 (3) 0.006 (2)
C961 0.023 (5) 0.012 (4) 0.0205 (18) 0.001 (3) 0.000 (3) 0.004 (2)
N1 0.0218 (8) 0.0227 (8) 0.0208 (8) 0.0079 (6) 0.0090 (6) 0.0104 (6)
N2 0.0185 (8) 0.0181 (7) 0.0229 (8) 0.0034 (6) 0.0060 (6) 0.0082 (6)
N31 0.0142 (7) 0.0173 (7) 0.0264 (8) 0.0021 (6) 0.0060 (6) 0.0021 (6)
N32 0.0154 (7) 0.0196 (8) 0.0230 (8) 0.0003 (6) 0.0061 (6) −0.0034 (6)
N51 0.0190 (8) 0.0264 (8) 0.0175 (7) 0.0057 (6) 0.0025 (6) 0.0019 (6)
N52 0.0186 (8) 0.0264 (8) 0.0173 (7) 0.0066 (6) 0.0032 (6) 0.0039 (6)
N91 0.0232 (9) 0.0289 (9) 0.0323 (10) 0.0107 (7) 0.0026 (7) −0.0065 (7)
N101 0.0271 (9) 0.0283 (9) 0.0315 (9) −0.0031 (7) 0.0113 (8) 0.0045 (7)
N110 0.0518 (14) 0.0428 (12) 0.0386 (12) 0.0103 (10) 0.0170 (10) 0.0082 (9)
N121 0.0223 (9) 0.0261 (9) 0.0289 (9) 0.0065 (7) 0.0105 (7) 0.0110 (7)
N131 0.0180 (8) 0.0192 (8) 0.0199 (8) 0.0015 (6) 0.0050 (6) 0.0013 (6)
N141 0.0318 (10) 0.0248 (9) 0.0227 (8) 0.0073 (7) 0.0092 (7) 0.0053 (7)
N151 0.0349 (10) 0.0315 (10) 0.0240 (9) 0.0115 (8) 0.0014 (8) 0.0066 (7)
N161 0.0470 (12) 0.0336 (10) 0.0224 (8) 0.0123 (9) 0.0039 (8) 0.0024 (7)
O1 0.0206 (6) 0.0190 (6) 0.0178 (6) 0.0053 (5) 0.0029 (5) 0.0052 (5)
O2 0.0179 (6) 0.0157 (6) 0.0153 (6) 0.0012 (5) 0.0044 (5) 0.0028 (5)
O3 0.0223 (6) 0.0178 (6) 0.0129 (6) 0.0039 (5) 0.0056 (5) 0.0038 (5)
O4 0.0261 (7) 0.0173 (6) 0.0156 (6) 0.0064 (5) 0.0066 (5) 0.0033 (5)
O31 0.0312 (7) 0.0205 (7) 0.0172 (6) 0.0104 (6) 0.0088 (5) 0.0076 (5)
O32 0.0177 (6) 0.0195 (6) 0.0130 (6) 0.0040 (5) 0.0043 (5) 0.0035 (5)
O33 0.0178 (6) 0.0226 (6) 0.0152 (6) 0.0058 (5) 0.0042 (5) 0.0040 (5)
O34 0.0266 (7) 0.0283 (7) 0.0208 (7) 0.0098 (6) 0.0054 (6) −0.0005 (6)
O61 0.0418 (9) 0.0290 (8) 0.0188 (7) 0.0112 (7) −0.0050 (6) −0.0029 (6)
O62 0.0295 (8) 0.0216 (7) 0.0193 (7) 0.0064 (6) −0.0015 (6) 0.0023 (5)
O63 0.0347 (8) 0.0217 (7) 0.0203 (7) 0.0092 (6) −0.0016 (6) 0.0023 (5)
O64 0.0382 (9) 0.0243 (7) 0.0240 (7) 0.0072 (6) −0.0024 (6) 0.0073 (6)
O91 0.0223 (7) 0.0218 (7) 0.0211 (7) 0.0077 (5) 0.0059 (5) 0.0050 (5)
O101 0.0267 (7) 0.0197 (7) 0.0252 (7) 0.0010 (5) 0.0093 (6) 0.0047 (5)
O110 0.0822 (17) 0.0565 (14) 0.0609 (15) 0.0144 (12) 0.0128 (13) 0.0216 (11)
O971 0.032 (3) 0.026 (3) 0.031 (3) 0.004 (2) 0.004 (2) 0.001 (2)
S121 0.0194 (3) 0.0920 (6) 0.0300 (3) 0.0114 (3) 0.0091 (2) −0.0001 (3)
S131 0.0325 (3) 0.0404 (3) 0.0586 (4) −0.0051 (3) 0.0200 (3) 0.0198 (3)
S141 0.0280 (3) 0.0428 (3) 0.0449 (3) 0.0059 (2) 0.0148 (3) 0.0029 (3)
S151 0.0513 (5) 0.1423 (9) 0.0340 (4) 0.0500 (5) 0.0135 (3) 0.0104 (5)
S161 0.1116 (17) 0.0738 (13) 0.0242 (5) 0.0725 (14) 0.0286 (7) 0.0186 (6)
S961 0.0349 (12) 0.0298 (12) 0.0178 (8) 0.0150 (10) 0.0082 (7) 0.0042 (7)
Sm1 0.01849 (5) 0.01405 (4) 0.01404 (4) 0.00403 (3) 0.00687 (3) 0.00452 (3)
Zn1 0.01724 (10) 0.01703 (10) 0.01765 (10) 0.00387 (8) 0.00633 (8) 0.00702 (8)
Zn31 0.01394 (10) 0.01608 (10) 0.01577 (10) 0.00152 (7) 0.00384 (7) 0.00109 (7)
Zn61 0.03172 (13) 0.02864 (12) 0.01707 (11) 0.00918 (10) −0.00126 (9) 0.00330 (9)
Zn62 0.02403 (11) 0.02136 (11) 0.01524 (10) 0.00642 (9) 0.00265 (8) 0.00237 (8)