(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m432-m433 [ doi:10.1107/S1600536806003576 ]

Pentacarbonyl[N,N-dimethyl-N'-(5-{2-[5-(4-pyridylethynyl)thiophen-2-yl]vinyl}thiophen-2-ylmethylene)benzene-1,4-diamine]tungsten(0)

P.-H. Huang, T.-H. Huang, J.-Y. Shen and Y.-S. Wen

Online 3 February 2006

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.004 Å
R factor = 0.022
wR factor = 0.040
Data-to-parameter ratio = 13.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT061_ALERT_3_C Tmax/Tmin Range Test RR' too Large .............       0.89       
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.61 Ratio 
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.20 Ratio 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    O5     -   C5      ..       6.10 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  W      -   C1      ..       6.21 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  W      -   C2      ..       5.59 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  W      -   C3      ..       7.39 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  W      -   C4      ..       5.47 su    
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  W      -   C5      ..       8.90 su    
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C9     -   C12    ...       1.43 Ang.  

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  10 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
   8 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
   0 ALERT type 4 Improvement, methodology, query or suggestion