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. 2022 Jun 30;78(Pt 7):750–754. doi: 10.1107/S2056989022006624
U11 U22 U33 U12 U13 U23
Ni1 0.0278 (5) 0.0183 (4) 0.0225 (4) 0.0031 (4) −0.0059 (3) −0.0108 (4)
P2 0.0380 (8) 0.0178 (6) 0.0273 (7) −0.0020 (6) −0.0117 (6) −0.0089 (5)
P1 0.0314 (7) 0.0195 (6) 0.0258 (6) 0.0026 (6) −0.0079 (5) −0.0139 (5)
P3 0.0495 (9) 0.0290 (7) 0.0222 (7) −0.0109 (7) −0.0112 (6) −0.0074 (6)
O5 0.056 (2) 0.0220 (18) 0.042 (2) 0.0005 (18) −0.0129 (18) −0.0184 (17)
C29 0.031 (3) 0.023 (2) 0.019 (2) 0.000 (2) −0.0063 (19) −0.010 (2)
O4 0.051 (2) 0.0229 (18) 0.0265 (18) −0.0077 (17) −0.0132 (16) −0.0072 (15)
O3W 0.0317 (19) 0.0298 (19) 0.0354 (19) 0.0021 (16) −0.0082 (15) −0.0185 (16)
O4W 0.064 (3) 0.059 (3) 0.060 (3) −0.013 (2) −0.008 (2) −0.026 (2)
C22 0.017 (2) 0.022 (2) 0.020 (2) −0.002 (2) 0.0003 (18) −0.012 (2)
C38 0.040 (3) 0.022 (2) 0.025 (3) −0.007 (2) −0.011 (2) −0.010 (2)
C26 0.030 (3) 0.019 (2) 0.022 (2) −0.002 (2) −0.005 (2) −0.011 (2)
N1 0.036 (2) 0.021 (2) 0.026 (2) 0.0064 (19) −0.0090 (18) −0.0131 (18)
O3 0.049 (2) 0.027 (2) 0.054 (2) 0.0082 (18) −0.0240 (18) −0.0272 (19)
C34 0.019 (2) 0.025 (2) 0.021 (2) 0.006 (2) −0.0042 (18) −0.014 (2)
N2 0.039 (3) 0.031 (2) 0.030 (2) −0.003 (2) −0.0034 (19) −0.016 (2)
C3 0.033 (3) 0.052 (4) 0.046 (3) −0.004 (3) 0.006 (2) −0.032 (3)
O2 0.047 (2) 0.031 (2) 0.0312 (19) −0.0057 (17) 0.0045 (16) −0.0216 (17)
O9 0.090 (3) 0.034 (2) 0.028 (2) −0.021 (2) −0.022 (2) −0.0065 (17)
C35 0.028 (3) 0.023 (2) 0.024 (2) −0.004 (2) −0.004 (2) −0.012 (2)
C41 0.023 (2) 0.019 (2) 0.027 (2) 0.000 (2) −0.0026 (19) −0.012 (2)
C23 0.026 (3) 0.022 (2) 0.019 (2) 0.004 (2) −0.0033 (19) −0.010 (2)
C30 0.028 (3) 0.022 (3) 0.046 (3) 0.003 (2) −0.006 (2) −0.014 (2)
C25 0.021 (2) 0.018 (2) 0.025 (2) 0.001 (2) −0.0017 (19) −0.010 (2)
C5 0.053 (4) 0.030 (3) 0.034 (3) −0.007 (3) −0.010 (3) −0.014 (2)
C33 0.035 (3) 0.022 (2) 0.031 (3) 0.000 (2) −0.008 (2) −0.016 (2)
C39 0.033 (3) 0.040 (3) 0.023 (3) −0.007 (3) −0.003 (2) −0.013 (2)
C42 0.052 (3) 0.021 (3) 0.027 (3) −0.004 (2) −0.009 (2) −0.010 (2)
O7 0.053 (2) 0.038 (2) 0.0282 (19) −0.0107 (19) −0.0119 (17) −0.0096 (17)
C36 0.038 (3) 0.025 (3) 0.024 (3) 0.001 (2) −0.006 (2) −0.014 (2)
C19 0.023 (2) 0.018 (2) 0.015 (2) 0.001 (2) −0.0015 (18) −0.0077 (19)
C21 0.026 (3) 0.032 (3) 0.036 (3) −0.002 (2) −0.006 (2) −0.023 (2)
O8 0.054 (2) 0.053 (3) 0.0258 (19) −0.001 (2) −0.0044 (17) −0.0116 (19)
C20 0.023 (3) 0.033 (3) 0.036 (3) 0.004 (2) −0.001 (2) −0.024 (2)
C2 0.036 (3) 0.048 (4) 0.041 (3) 0.010 (3) −0.005 (2) −0.029 (3)
C37 0.038 (3) 0.025 (3) 0.030 (3) 0.007 (2) −0.015 (2) −0.013 (2)
C32 0.020 (2) 0.023 (2) 0.022 (2) 0.004 (2) −0.0025 (18) −0.013 (2)
C24 0.050 (3) 0.021 (2) 0.025 (3) −0.003 (2) −0.007 (2) −0.012 (2)
Ni2 0.0292 (5) 0.0196 (4) 0.0220 (4) 0.0031 (4) −0.0055 (4) −0.0117 (4)
O1W 0.073 (3) 0.036 (2) 0.033 (2) −0.014 (2) −0.0077 (19) −0.0169 (18)
N3 0.042 (3) 0.027 (2) 0.023 (2) −0.007 (2) −0.0027 (18) −0.0130 (18)
C10 0.049 (3) 0.044 (3) 0.031 (3) −0.007 (3) −0.005 (2) −0.024 (3)
N4 0.046 (3) 0.031 (2) 0.040 (3) −0.002 (2) −0.009 (2) −0.019 (2)
C9 0.041 (3) 0.047 (3) 0.037 (3) −0.002 (3) 0.001 (2) −0.025 (3)
C7 0.046 (3) 0.041 (3) 0.037 (3) 0.001 (3) −0.014 (3) −0.016 (3)
C6 0.050 (3) 0.029 (3) 0.031 (3) 0.001 (3) −0.015 (2) −0.016 (2)
C8 0.047 (4) 0.039 (3) 0.043 (3) 0.002 (3) −0.009 (3) −0.020 (3)
Ni3 0.0357 (5) 0.0258 (5) 0.0275 (5) −0.0032 (4) −0.0080 (4) −0.0148 (4)
O2W 0.046 (2) 0.043 (2) 0.034 (2) −0.0071 (19) −0.0093 (17) −0.0240 (18)
N5 0.058 (3) 0.045 (3) 0.039 (3) −0.017 (3) −0.008 (2) −0.023 (2)
O7W 0.037 (2) 0.102 (4) 0.104 (4) 0.006 (2) −0.008 (2) −0.089 (3)
N6 0.050 (3) 0.050 (3) 0.056 (3) 0.008 (3) −0.023 (2) −0.037 (3)
C14 0.042 (4) 0.071 (5) 0.079 (5) 0.013 (3) −0.014 (3) −0.059 (4)
O6W 0.052 (3) 0.059 (3) 0.042 (2) 0.004 (2) −0.0005 (19) −0.023 (2)
O5W 0.035 (2) 0.041 (2) 0.041 (2) −0.0007 (18) −0.0030 (16) −0.0199 (18)
O1 0.045 (2) 0.0221 (18) 0.0296 (19) 0.0041 (16) −0.0121 (16) −0.0115 (15)
O6 0.042 (2) 0.026 (2) 0.044 (2) −0.0058 (18) −0.0156 (17) −0.0044 (17)
C17 0.023 (2) 0.022 (2) 0.021 (2) 0.000 (2) 0.0004 (19) −0.010 (2)
C16 0.028 (3) 0.020 (2) 0.019 (2) 0.000 (2) −0.0066 (19) −0.010 (2)
C18 0.025 (3) 0.022 (2) 0.028 (3) −0.004 (2) −0.005 (2) −0.014 (2)
C40 0.025 (3) 0.034 (3) 0.031 (3) 0.001 (2) −0.007 (2) −0.015 (2)
C1 0.048 (3) 0.030 (3) 0.043 (3) 0.010 (3) −0.016 (3) −0.025 (3)
C28 0.036 (3) 0.027 (3) 0.032 (3) −0.007 (2) 0.009 (2) −0.017 (2)
C31 0.021 (3) 0.024 (3) 0.041 (3) 0.000 (2) 0.004 (2) −0.011 (2)
C13 0.090 (5) 0.038 (4) 0.060 (4) 0.013 (4) −0.044 (4) −0.020 (3)
C15 0.041 (4) 0.070 (5) 0.058 (4) −0.014 (3) 0.006 (3) −0.046 (4)
C11 0.087 (5) 0.057 (4) 0.042 (4) −0.035 (4) −0.005 (3) −0.017 (3)
C27 0.035 (3) 0.023 (3) 0.031 (3) 0.000 (2) 0.006 (2) −0.013 (2)
C12 0.106 (6) 0.034 (4) 0.048 (4) −0.015 (4) −0.034 (4) −0.002 (3)
C4 0.039 (3) 0.035 (3) 0.034 (3) −0.003 (3) −0.011 (2) −0.014 (3)