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. 2023 Sep 26;79(Pt 10):936–941. doi: 10.1107/S2056989023008186
U11 U22 U33 U12 U13 U23
Fe1 0.0221 (3) 0.0223 (3) 0.0094 (2) 0.0008 (2) −0.00059 (18) 0.00175 (18)
N1 0.0282 (17) 0.0237 (16) 0.0160 (14) 0.0051 (13) 0.0043 (12) 0.0041 (12)
N11 0.0203 (15) 0.0290 (16) 0.0161 (14) −0.0020 (12) −0.0004 (11) 0.0055 (12)
C12 0.0218 (17) 0.0214 (17) 0.0211 (17) 0.0000 (14) 0.0009 (14) 0.0051 (14)
N13 0.0311 (18) 0.0271 (17) 0.0277 (17) 0.0068 (14) 0.0048 (14) 0.0108 (14)
C14 0.027 (2) 0.032 (2) 0.036 (2) 0.0074 (17) 0.0041 (17) 0.0158 (18)
C15 0.027 (2) 0.037 (2) 0.031 (2) 0.0004 (17) −0.0056 (16) 0.0145 (18)
C16 0.030 (2) 0.038 (2) 0.0184 (17) −0.0032 (17) −0.0054 (15) 0.0086 (16)
N21 0.0252 (16) 0.0181 (14) 0.0165 (14) −0.0010 (12) 0.0024 (12) 0.0027 (11)
C22 0.0225 (17) 0.0163 (16) 0.0199 (16) −0.0033 (13) 0.0034 (13) 0.0044 (13)
N23 0.0364 (19) 0.0249 (16) 0.0193 (15) 0.0050 (14) 0.0054 (13) 0.0088 (13)
C24 0.046 (3) 0.026 (2) 0.026 (2) 0.0066 (18) 0.0070 (18) 0.0135 (16)
C25 0.040 (2) 0.0185 (17) 0.032 (2) 0.0050 (16) 0.0084 (18) 0.0099 (15)
C26 0.030 (2) 0.0152 (16) 0.0243 (18) −0.0006 (14) 0.0052 (15) 0.0005 (14)
N3 0.0288 (17) 0.0225 (15) 0.0128 (13) 0.0029 (13) −0.0043 (12) 0.0020 (12)
N31 0.0244 (16) 0.0262 (16) 0.0161 (14) 0.0041 (13) 0.0018 (12) −0.0004 (12)
C32 0.0222 (17) 0.0200 (17) 0.0200 (16) 0.0016 (14) 0.0008 (14) 0.0051 (13)
N33 0.0292 (18) 0.0227 (16) 0.0276 (17) 0.0056 (14) −0.0048 (14) 0.0005 (13)
C34 0.025 (2) 0.027 (2) 0.037 (2) 0.0053 (16) −0.0007 (17) 0.0029 (17)
C35 0.033 (2) 0.037 (2) 0.029 (2) 0.0061 (18) 0.0088 (17) 0.0004 (18)
C36 0.034 (2) 0.033 (2) 0.0193 (18) 0.0025 (17) 0.0056 (16) 0.0026 (16)
N41 0.0249 (16) 0.0199 (15) 0.0167 (14) −0.0003 (12) 0.0005 (12) 0.0044 (11)
C42 0.0245 (18) 0.0181 (16) 0.0154 (15) −0.0042 (13) −0.0021 (13) 0.0029 (13)
N43 0.0369 (19) 0.0203 (15) 0.0157 (14) 0.0020 (13) −0.0047 (13) 0.0007 (12)
C44 0.045 (2) 0.0206 (18) 0.0182 (17) 0.0039 (17) −0.0035 (16) 0.0005 (14)
C45 0.037 (2) 0.0200 (17) 0.0225 (18) 0.0045 (16) −0.0027 (16) 0.0061 (14)
C46 0.0248 (18) 0.0201 (17) 0.0200 (16) −0.0005 (14) −0.0015 (14) 0.0087 (14)
N51 0.044 (2) 0.038 (2) 0.0158 (15) −0.0006 (17) 0.0008 (14) 0.0076 (14)
C52 0.035 (2) 0.034 (2) 0.0154 (16) 0.0064 (17) 0.0033 (15) 0.0094 (15)
N53 0.083 (4) 0.041 (2) 0.0258 (19) −0.007 (2) 0.013 (2) 0.0110 (17)
C54 0.035 (2) 0.035 (2) 0.040 (2) 0.0089 (19) 0.0094 (19) 0.014 (2)
N55 0.052 (3) 0.039 (2) 0.049 (3) 0.002 (2) 0.006 (2) 0.002 (2)
N61 0.043 (2) 0.0331 (19) 0.0202 (16) −0.0012 (16) −0.0024 (15) −0.0008 (14)
C62 0.048 (3) 0.027 (2) 0.0219 (19) −0.0028 (19) −0.0040 (18) 0.0072 (16)
N63 0.142 (6) 0.037 (2) 0.025 (2) −0.033 (3) −0.023 (3) 0.0074 (18)
C64 0.044 (3) 0.0227 (19) 0.025 (2) −0.0026 (18) −0.0047 (18) −0.0018 (16)
N65 0.050 (3) 0.040 (2) 0.0263 (19) −0.0017 (19) −0.0038 (17) 0.0014 (16)
O71 0.046 (2) 0.066 (3) 0.048 (2) −0.002 (2) 0.0036 (18) 0.005 (2)
O81 0.042 (2) 0.070 (3) 0.0287 (17) 0.0037 (19) 0.0054 (15) −0.0011 (17)