(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m1590-m1592 [ doi:10.1107/S1600536805022506 ]

- Stacking in bis(quinolinium) tetrachlorozincate dihydrate

J. Valdés-Martínez, O. Muñoz and R. A. Toscano

Online 20 July 2005

Key indicators

Single-crystal X-ray study
T = 294 K
Mean (C-C) = 0.004 Å
R factor = 0.049
wR factor = 0.087
Data-to-parameter ratio = 23.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.31       
PLAT164_ALERT_4_C Nr. of Refined C-H H-Atoms in Heavy-At Struct...          7       
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Zn1     
PLAT350_ALERT_3_C Short   C-H Bond (0.96A)   C5     -   H5     ...       0.84 Ang.  
PLAT417_ALERT_2_C Short Inter D-H..H-D       H1     ..  H1A     ..       2.11 Ang.  

Alert level G
ABSTM02_ALERT_3_G  The ratio of expected to reported Tmax/Tmin(RR') is < 0.90
            Tmin and Tmax reported:      0.664     0.820
            Tmin(prime) and Tmax expected:      0.715     0.758
            RR(prime) =      0.859
            Please check that your absorption correction is appropriate.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   6 ALERT level C = Check and explain
   1 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 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