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Acta Cryst. (2008). E64, m1050-m1051  [ doi:10.1107/S1600536808022320 ]


M. Seyed Sadjadi, A. Ebadi, K. Zare, V. Amani and H. R. Khavasi

Online 19 July 2008

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level B PLAT432_ALERT_2_B Short Inter X...Y Contact O4 .. C7 .. 2.81 Ang.
Alert level C PLAT220_ALERT_2_C Large Non-Solvent N Ueq(max)/Ueq(min) ... 2.77 Ratio PLAT220_ALERT_2_C Large Non-Solvent O Ueq(max)/Ueq(min) ... 3.29 Ratio PLAT222_ALERT_3_C Large Non-Solvent H Ueq(max)/Ueq(min) ... 3.15 Ratio PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cd1 -- O2 .. 6.31 su PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X) Cd1 -- O5 .. 6.16 su PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for N5 PLAT245_ALERT_2_C U(iso) H1B Smaller than U(eq) O1 by ... 0.02 AngSq
0 ALERT level A = In general: serious problem 1 ALERT level B = Potentially serious problem 7 ALERT level C = Check and explain 0 ALERT level G = General alerts; check 0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 7 ALERT type 2 Indicator that the structure model may be wrong or deficient 1 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 0 ALERT type 5 Informative message, check

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