(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, m464-m465 [ doi:10.1107/S1600536808003528 ]

trans-Carbonylchloridobis(tri-p-tolylphosphine)rhodium(I) acetone solvate

F. Lorenzini, B. O. Patrick and B. R. James

Online 8 February 2008

Key indicators

Single-crystal X-ray study
T = 173 K
Mean (C-C) = 0.006 Å
R factor = 0.048
wR factor = 0.115
Data-to-parameter ratio = 20.8

checkCIF/PLATON results

No syntax errors found




Alert level C
ABSTM02_ALERT_3_C  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.683     0.960
            Tmin(prime) and Tmax expected:      0.864     0.960
            RR(prime) =      0.791
            Please check that your absorption correction is appropriate.
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.79      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.85 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.02 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Rh1    -   C43     ..       7.14 su   
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for        C44     

   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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 ALERT type 2 Indicator that the structure model may be wrong or deficient
   3 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