Acta Cryst. (2005). E61, m702-m704  [ doi:10.1107/S1600536805008019 ]

1,4-Diazoniabicyclo[2.2.2]octane diaquabis(pyrazole-3,5-dicarboxylato)zincate(II) dihydrate

X.-H. Li, X.-X. Lei, Y.-G. Tian and S. Wang

Online 25 March 2005

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• R factor = 0.034
• wR factor = 0.083
• Data-to-parameter ratio = 11.0

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT243_ALERT_4_C High  'Solvent' Ueq as Compared to Neighbors for        C15     
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         N5     
PLAT432_ALERT_2_C Short Inter X...Y Contact  O2     ..  C11     ..       3.00 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  O8     ..  C14     ..       2.98 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  O8     ..  C13     ..       2.99 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 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
   3 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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