[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, m1321-m1322
[ doi:10.1107/S1600536812040901 ]

Bis[4-(dimethylamino)pyridinium] octaaquachloridolanthanum(III) tetrachloride trihydrate

M. Benslimane, H. Merazig, J.-C. Daran and O. Zeghouan

Key indicators

checkCIF/PLATON results

No syntax errors found

Alert level C PLAT242_ALERT_2_C Check Low Ueq as Compared to Neighbors for La1 PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) ..... 10 PLAT975_ALERT_2_C Positive Residual Density at 1.02A from O3W . 0.46 eA-3
Alert level G PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............ 24 PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La1 -- Cl5 .. 6.7 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La1 -- O5 .. 5.4 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La1 -- O6 .. 6.2 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La1 -- O7 .. 7.1 su PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X) La1 -- O8 .. 5.1 su PLAT380_ALERT_4_G Check Incorrectly? Oriented X(sp2)-Methyl Moiety C14 PLAT794_ALERT_5_G Note: Tentative Bond Valency for La1 (III) 3.19 PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 102
0 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 3 ALERT level C = Check. Ensure it is not caused by an omission or oversight 10 ALERT level G = General information/check it is not something unexpected 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 2 ALERT type 4 Improvement, methodology, query or suggestion 3 ALERT type 5 Informative message, check

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