Acta Cryst. (2007). E63, i188  [ doi:10.1107/S1600536807050568 ]

Evidence of a centre of symmetry: redetermination of Ni_2.60Te₂ from single-crystal data

L. D. Gulay, M. Daszkiewicz and A. Pietraszko

Online 19 October 2007

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (e-Ni) = 0.001 Å
• Disorder in main residue
• R factor = 0.025
• wR factor = 0.060
• Data-to-parameter ratio = 10.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT027_ALERT_3_B _diffrn_reflns_theta_full (too) Low ............      24.98 Deg. 
PLAT301_ALERT_3_B Main Residue  Disorder .........................      36.00 Perc.

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98      
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       0.25 Ratio
PLAT068_ALERT_1_C Reported F000 Differs from Calcd (or Missing)...          ?
PLAT077_ALERT_4_C Unitcell contains non-integer number of atoms ..          ?

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G 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
   2 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
   3 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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