Acta Cryst. (2005). E61, o1052-o1054  [ doi:10.1107/S1600536805007993 ]

Redetermination of adeninium dichloride: the question of centrosymmetry

T. C. Lewis and D. A. Tocher

Online 25 March 2005

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.002 Å
• R factor = 0.024
• wR factor = 0.063
• Data-to-parameter ratio = 11.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT063_ALERT_3_C Crystal Probably too Large for Beam Size .......       0.74 mm    
PLAT432_ALERT_2_C Short Inter X...Y Contact  Cl2    ..  C5      ..       3.24 Ang.  

   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
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion

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