(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2007). E63, m2561-m2562 [ doi:10.1107/S1600536807045382 ]

Diaquabis(N,N-diethylnicotinamide-N)bis(4-fluorobenzoato-O)zinc(II)

T. Hökelek, N. Çaylak and H. Necefoglu

Online 21 September 2007

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.006 Å
R factor = 0.050
wR factor = 0.140
Data-to-parameter ratio = 15.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT222_ALERT_3_B Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       4.12 Ratio

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.40 Ratio
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C14     

Alert level G
PLAT794_ALERT_5_G Check Predicted Bond Valency for Zn          (2)       1.91      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          4      

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