Acta Cryst. (2007). E63, i27-i29  [ doi:10.1107/S1600536806056364 ]

A new pseudo-two-dimensional niobium chloride selenide, Nb₃Se₁₀Cl₃

J.-E. Kwak, S.-I. Hahn and H. Yun

Online 10 January 2007

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (Se-Se) = 0.002 Å
• R factor = 0.055
• wR factor = 0.141
• Data-to-parameter ratio = 24.7

checkCIF/PLATON results

No syntax errors found




Alert level C
DIFMX01_ALERT_2_C  The maximum difference density is > 0.1*ZMAX*0.75
            _refine_diff_density_max given =      3.507
            Test value =      3.075
DIFMX02_ALERT_1_C  The maximum difference density is > 0.1*ZMAX*0.75
            The relevant atom site should be identified.
PLAT097_ALERT_2_C Maximum (Positive) Residual Density ............       3.51 e/A   

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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