Acta Cryst. (2008). E64, m1610-m1611  [ doi:10.1107/S1600536808038737 ]

Aquatricarbonyl(3,5,7-tribromotropolonato)rhenium(I) methanol solvate

M. Schutte, H. G. Visser and A. Roodt

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.009 Å
• R factor = 0.033
• wR factor = 0.079
• Data-to-parameter ratio = 17.4

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   100.000
            Value of melting point given =     0.000
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Re01   --  C2      ..       8.51 su   
PLAT342_ALERT_3_C Low Bond Precision on C-C Bonds (x 1000) Ang ...          9      
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O6     -   H6B    ...       1.06 Ang. 
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br1    ..  O3      ..       3.23 Ang. 
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br2    ..  Br2     ..       3.59 Ang. 
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)        500 Ang. 
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        500 Deg. 
PLAT234_ALERT_4_C Large Hirshfeld Difference Re01   --  C1      ..       0.11  Ang.
PLAT234_ALERT_4_C Large Hirshfeld Difference O2     --  C2      ..       0.12  Ang.

Alert level G
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          1      

   0 ALERT level A = In general: serious problem
   0 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
   3 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
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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