Acta Cryst. (2006). E62, m2781-m2783  [ doi:10.1107/S160053680603933X ]

N,N'-Butanedioylbis(3-ferrocenyl-5-methyl-1H-pyrazole)

Y.-C. Shi, C.-X. Sui and B.-B. Zhu

Online 4 October 2006

Key indicators

• Single-crystal X-ray study
• T = 295 K
• Mean (C-C) = 0.008 Å
• R factor = 0.045
• wR factor = 0.185
• Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.92 Ratio
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C1     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         C4     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Fe1     
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          8      

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

   0 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
   0 ALERT type 5 Informative message, check

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