Acta Cryst. (2005). E61, m1849-m1851  [ doi:10.1107/S1600536805026309 ]

Hexaaquazinc(II) bis[trichloro(3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione-N⁹)zincate(II)] dihydrate

Z.-M. Jin, L. Li, M.-L. Hu, H. Su and C.-X. Tong

Online 27 August 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• Disorder in solvent or counterion
• R factor = 0.027
• wR factor = 0.070
• Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT302_ALERT_4_C Anion/Solvent Disorder .........................      11.00 Perc. 
PLAT417_ALERT_2_C Short Inter D-H..H-D       H4WB   ..  H6B2    ..       2.10 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  Cl1    ..  C2      ..       3.24 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  O2     ..  C5      ..       3.01 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         10       
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......       5.40 Deg.  
              H6A1 -O6A  -H6B1    1.555   1.555   1.555                         
PLAT779_ALERT_2_C Suspect or Irrelevant (Bond) Angle in CIF ......      18.20 Deg.  
              H6A1 -O6B  -H6B1    1.555   1.555   1.555                         

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

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

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