(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m3562-m3564 [ doi:10.1107/S1600536806049683 ]

Quinolinium tetrachloroferrate(III)

D. Wyrzykowski, A. Sikorski, A. Konitz and Z. Warnke

Online 30 November 2006

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (C-C) = 0.007 Å
Disorder in main residue
R factor = 0.040
wR factor = 0.101
Data-to-parameter ratio = 15.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C3     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Fe1     
PLAT301_ALERT_3_C Main Residue  Disorder .........................       9.00 Perc.
PLAT341_ALERT_3_C Low Bond Precision on C-C bonds (x 1000) Ang ...          7      
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C3     -   C4     ...       1.37 Ang. 
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C3     -   C3_b   ...       1.39 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H1     ..  CL2     ..       2.87 Ang. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   7 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check