[Open access]

Acta Cryst. (2012). E68, i83
[ doi:10.1107/S1600536812043747 ]

Redetermination of dysprosium trinickel from single-crystal X-ray data

V. Levytskyy, V. Babizhetskyy, B. Kotur and V. Smetana


Key indicators

checkCIF/PLATON results

No syntax errors found



Alert level A PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on Dy1 2.03 eA-3
Author Response: The positive residual density is close to that of the Dy1 atoms

Alert level C PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density .... 2.08 PLAT702_ALERT_1_C Angle Calc 179.98(1), Rep 180.00(3), Dev.. 2.00 Sigma DY1 -NI3 -DY1 31.445 1.555 7.555 # 243 PLAT702_ALERT_1_C Angle Calc 179.98(1), Rep 180.00(3), Dev.. 2.00 Sigma DY1 -NI3 -DY1 31.545 1.555 7.455 # 264 PLAT922_ALERT_1_C wR2 in the CIF and FCF Differ by ............... -0.0015 PLAT923_ALERT_1_C S values in the CIF and FCF Differ by ....... 0.077 PLAT927_ALERT_1_C Reported and Calculated wR2 Differ by ......... -0.0015 PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on Dy2 1.23 eA-3
Author Response: The positive residual density is close to that of the Dy1 atoms

Alert level G PLAT004_ALERT_5_G Info: Polymeric Structure Found with Dimension . 2 PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF .... ? PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature 293 K PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature 293 K PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 3
1 ALERT level A = Most likely a serious problem - resolve or explain 0 ALERT level B = A potentially serious problem, consider carefully 7 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 7 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 3 ALERT type 2 Indicator that the structure model may be wrong or deficient 0 ALERT type 3 Indicator that the structure quality may be low 1 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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