Acta Cryst. (2005). E61, m1024-m1026  [ doi:10.1107/S1600536805012912 ]

Bis(cycloheptylaminium) hydrogenarsenate monohydrate

M. J. Todd and W. T. A. Harrison

Online 7 May 2005

Key indicators

• Single-crystal X-ray study
• T = 120 K
• Mean (C-C) = 0.003 Å
• Disorder in main residue
• R factor = 0.028
• wR factor = 0.068
• Data-to-parameter ratio = 21.3

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT201_ALERT_2_B Isotropic non-H Atoms in Main Residue(s) .......          1       

Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.73 Ratio 
PLAT301_ALERT_3_C Main Residue  Disorder .........................       4.00 Perc. 
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      23.00 Deg.  
              C12A -C11  -C12B    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      22.30 Deg.  
              C12B -C13  -C12A    1.555   1.555   1.555                         

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   5 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
   4 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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