(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m2835-m2837 [ doi:10.1107/S1600536806040074 ]

Piperazinediium bis(pyridine-2,6-dicarboxylato)plumbate(II) dihydrate

H. Aghabozorg, P. Ghasemikhah, M. Ghadermazi and S. Sheshmani

Online 7 October 2006

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
R factor = 0.017
wR factor = 0.040
Data-to-parameter ratio = 18.3

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.67      
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.07      
PLAT411_ALERT_2_C Short Inter H...H Contact  H9A    ..  H9A     ..       2.13 Ang. 
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         16      

Alert level G
ABSTM02_ALERT_3_G  When printed, the submitted absorption T values will be
            replaced by the scaled T values. Since the ratio of scaled T's
            is identical to the ratio of reported T values, the scaling
            does not imply a change to the absorption corrections used in
            the study.
            Ratio of Tmax expected/reported      0.669
            Tmax scaled      0.195 Tmin scaled      0.116

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   4 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
   1 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check