Acta Cryst. (2006). E62, m2942-m2943  [ doi:10.1107/S1600536806040591 ]

(Acetonitrile-N)dichlorobis(⁵-pentamethylcyclopentadienyl)uranium(IV)

J. Maynadié, J.-C. Berthet, P. Thuéry and M. Ephritikhine

Online 18 October 2006

Key indicators

• Single-crystal X-ray study
• T = 110 K
• Mean (C-C) = 0.006 Å
• R factor = 0.021
• wR factor = 0.058
• Data-to-parameter ratio = 17.6

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.514     0.746
            Tmin and Tmax expected:      0.463     0.746
            RR =      1.110
            Please check that your absorption correction is appropriate.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.12      
PLAT432_ALERT_2_C Short Inter X...Y Contact  Cl1    ..  C10     ..       3.18 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  Cl1    ..  C5      ..       3.20 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  N1     ..  C13     ..       2.98 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  N1     ..  C12     ..       3.02 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  N1     ..  C7      ..       3.04 Ang. 
PLAT764_ALERT_4_C Overcomplete CIF Bond List Detected (Rep/Expd) .       1.40 Ratio

   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

   1 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
   2 ALERT type 3 Indicator that the structure quality may be low
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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