(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, m514-m515 [ doi:10.1107/S1600536808004236 ]

1-Acetyl-3-ferrocenyl-5-(2-nitrophenyl)-2-pyrazoline

G. Turgut Cin, S. Demirel, N. Karadayi and O. Büyükgüngör

Online 5 March 2008

Key indicators

Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.004 Å
R factor = 0.038
wR factor = 0.087
Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Fe1     
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8B    ..  O2      ..       2.63 Ang. 

Alert level G
PLAT793_ALERT_2_G Check the Absolute Configuration of C7     .....          R      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   1 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
   0 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