[Open access]

Acta Cryst. (2013). E69, i80
[ doi:10.1107/S1600536813028717 ]

Redetermination of Dy3Ni from single-crystal X-ray data

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


Key indicators

checkCIF/PLATON results

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Alert level A PLAT971_ALERT_2_A Large Calcd. Non-Metal Positive Residual Density 3.68 eA-3
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT973_ALERT_2_A Large Calcd. Positive Residual Density on    Dy2       3.59 eA-3  
Author Response: The positive residual density is close to that of the Dy2 atoms

Alert level B Crystal system given = orthorhombic PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density 2.68 eA-3
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.64 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.61 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.53 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_B Large Calcd. Non-Metal Positive Residual Density       2.52 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.81 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_B Large Calcd. Non-Metal Negative Residual Density      -2.55 eA-3  
Author Response: see, response of the first problem.

Alert level C CRYSC01_ALERT_1_C No recognised colour has been given for crystal colour. PLAT031_ALERT_4_C Refined Extinction Parameter within Range ...... 3.000 Sigma PLAT712_ALERT_1_C ANGLE Unknown or Inconsistent Label .......... NI3 NI DY2 NI3 PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 13.849 Check PLAT906_ALERT_3_C Large K value in the Analysis of Variance ...... 2.999 Check PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density 2.38 eA-3
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.34 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.20 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.08 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       2.01 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.94 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.94 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.92 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.92 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.87 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.86 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.84 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.81 eA-3  
Author Response: The compound is clear intermetallic and such value of the residual density does not have a serious effect for the structure refinement quality.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.50 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.47 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.46 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.40 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.39 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.36 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.29 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.20 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.19 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.19 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.04 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -2.00 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.97 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.96 eA-3  
Author Response: see, response of the first problem.
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.94 eA-3  
Author Response: see, response of the first problem.

Alert level G PLAT004_ALERT_5_G Polymeric Structure Found with Dimension ....... 2 Info PLAT005_ALERT_5_G No _iucr_refine_instructions_details in the CIF Please Do ! PLAT199_ALERT_1_G Reported _cell_measurement_temperature ..... (K) 293 Check PLAT200_ALERT_1_G Reported _diffrn_ambient_temperature ..... (K) 293 Check PLAT912_ALERT_4_G Missing # of FCF Reflections Above STh/L= 0.600 23
2 ALERT level A = Most likely a serious problem - resolve or explain 7 ALERT level B = A potentially serious problem, consider carefully 33 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 4 ALERT type 1 CIF construction/syntax error, inconsistent or missing data 37 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 2 ALERT type 4 Improvement, methodology, query or suggestion 2 ALERT type 5 Informative message, check

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