(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m357-m358 [ doi:10.1107/S160053680400488X ]

2-(2,2-Dimethyl-1,3,2-dithiagermetan-4-ylidene)malononitrile

M. Akkurt, S. Öztürk, T. R. Kök and F. W. Heinemann

Online 13 March 2004

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.005 Å
R factor = 0.046
wR factor = 0.073
Data-to-parameter ratio = 19.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.98       
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.20 Ratio 
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C4A    -   C5A    ...       1.42 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C4A    -   C5A_a  ...       1.42 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C4B    -   C5B    ...       1.43 Ang.  
PLAT371_ALERT_2_C Long   C(sp2)-C(sp1) Bond  C4B    -   C5B_b  ...       1.43 Ang.  

   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
   4 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