(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2007). E63, m2271 [ doi:10.1107/S1600536807037798 ]

Azido{2,4-dibromo-6-[2-(diethylamino)ethyliminomethyl]phenolato}copper(II)

K. Li, H. Zhang, X.-N. Wang, J.-Y. Peng and Y.-P. Diao

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.006 Å
R factor = 0.041
wR factor = 0.101
Data-to-parameter ratio = 18.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.72      
PLAT431_ALERT_2_C Short Inter HL..A Contact  Br1    ..  Br2     ..       3.42 Ang. 
PLAT432_ALERT_2_C Short Inter X...Y Contact  Br1    ..  C7      ..       3.33 Ang. 

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      0.719
            Tmax scaled      0.232 Tmin scaled      0.209
PLAT794_ALERT_5_G Check Predicted Bond Valency for Cu1         (2)       2.20      

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   3 ALERT level C = Check and explain
   2 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
   1 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check