Acta Cryst. (2006). E62, m2889-m2890  [ doi:10.1107/S1600536806041328 ]

Lithium(I) hexaamminecobalt(III) tetrakis(malonato-²O,O'')plutonate(IV) pentahydrate

M. S. Grigoriev, N. N. Krot, A. A. Bessonov and K. A. Lyssenko

Online 13 October 2006

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.013 Å
• R factor = 0.053
• wR factor = 0.122
• Data-to-parameter ratio = 17.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H1B    ..  H2B     ..       1.95 Ang. 
PLAT417_ALERT_2_B Short Inter D-H..H-D       H2C    ..  H4B     ..       1.81 Ang. 
PLAT417_ALERT_2_B Short Inter D-H..H-D       H3D    ..  H4B     ..       2.09 Ang. 

Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR) is > 1.10
            Tmin and Tmax reported:      0.558     0.710
            Tmin and Tmax expected:      0.609     0.859
            RR =      1.110
            Please check that your absorption correction is appropriate.
CHEMW01_ALERT_1_C  The difference between the given and expected weight for
            compound is greater 1 mass unit. Check that all hydrogen
            atoms have been taken into account.
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT060_ALERT_3_C Ratio Tmax/Tmin (Exp-to-Rep) (too) Large .......       1.11      
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       1.21      
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       3.06 Ratio
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.59      
PLAT342_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...         13      
PLAT417_ALERT_2_C Short Inter D-H..H-D       H1C    ..  H5B     ..       2.14 Ang. 

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      1.211
            Tmax scaled      0.859 Tmin scaled      0.676

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   6 ALERT type 2 Indicator that the structure model may be wrong or deficient
   4 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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