[Open access]

Acta Cryst. (2013). E69, i17
[ doi:10.1107/S1600536813003541 ]

Barium dierbium(III) tetrasulfide

A. Mesbah, W. Stojko and J. A. Ibers


Key indicators

checkCIF/PLATON results

No syntax errors found




Alert level B PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: ER1 -- BA1 .. 4.28 Ang. PLAT774_ALERT_1_B Suspect X-Y Bond in CIF: ER2 -- BA1 .. 4.02 Ang. PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ... 1 PLAT922_ALERT_1_B wR2 in the CIF and FCF Differ by ............... 0.0087 PLAT923_ALERT_1_B S values in the CIF and FCF Differ by ....... -0.820 PLAT927_ALERT_1_B Reported and Calculated wR2 Differ by ......... 0.0087 PLAT928_ALERT_1_B Reported and Calculated S value Differ by . -0.822 PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers . 11
Alert level C PLAT741_ALERT_1_C Bond Calc 3.98840(10), Rep 3.98840 ...... Missing su BA1 -BA1 1.555 1.545 # 26 PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: ER2 -- BA1 .. 3.92 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: BA1 -- ER2 .. 3.92 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: BA1 -- BA1 .. 3.99 Ang. PLAT774_ALERT_1_C Suspect X-Y Bond in CIF: BA1 -- BA1 .. 3.99 Ang.
Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 3 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF ? PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings Differ ? PLAT794_ALERT_5_G Note: Tentative Bond Valency for Er1 (III) 3.53 PLAT794_ALERT_5_G Note: Tentative Bond Valency for Er2 (III) 3.48
0 ALERT level A = Most likely a serious problem - resolve or explain 8 ALERT level B = A potentially serious problem, consider carefully 5 ALERT level C = Check. Ensure it is not caused by an omission or oversight 5 ALERT level G = General information/check it is not something unexpected 12 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 0 ALERT type 2 Indicator that the structure model may be wrong or deficient 2 ALERT type 3 Indicator that the structure quality may be low 0 ALERT type 4 Improvement, methodology, query or suggestion 4 ALERT type 5 Informative message, check

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