Acta Cryst. (2006). E62, i131-i132  [ doi:10.1107/S1600536806016242 ]

Niobium selenide trichloride, NbSeCl₃

A. Meerschaut

Online 10 May 2006

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (e-Se) = 0.001 Å
• R factor = 0.039
• wR factor = 0.073
• Data-to-parameter ratio = 37.5

checkCIF/PLATON results

No syntax errors found




Alert level B
RINTA01_ALERT_3_B  The value of Rint is greater than 0.15
            Rint given   0.161
PLAT020_ALERT_3_B The value of Rint is greater than 0.10 .........       0.16       

Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.50 Ratio 
PLAT199_ALERT_1_C Check the Reported _cell_measurement_temperature        293 K     
PLAT200_ALERT_1_C Check the Reported _diffrn_ambient_temperature .        293 K     

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

   5 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

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