(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2009). E65, m55 [ doi:10.1107/S1600536808040695 ]

[Benzyl(2-pyridylmethyl)amine]dichloridomercury(II)

H.-J. Seo, Y.-I. Kim, Y.-S. Lee and S. K. Kang

Online 13 December 2008

Key indicators

Single-crystal X-ray study
T = 174 K
Mean (C-C) = 0.005 Å
Disorder in main residue
R factor = 0.021
wR factor = 0.045
Data-to-parameter ratio = 19.2

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT232_ALERT_2_B Hirshfeld Test Diff (M-X)  Hg1    --  Cl1     ..      12.12 su   

Alert level C
            Value of measurement temperature given =   174.000
            Value of melting point given =     0.000
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Hg1    --  Cl2     ..       8.94 su   
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C10     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      14.00 Perc.
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C10    -   C11    ...       1.38 Ang. 
PLAT366_ALERT_2_C Short? C(sp?)-C(sp?) Bond  C10    -   C15    ...       1.37 Ang. 

Alert level G
PLAT793_ALERT_4_G The Model has Chirality at N8      (Verify) ....          S      

   0 ALERT level A = In general: serious problem
   1 ALERT level B = Potentially serious problem
   5 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
   5 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
   0 ALERT type 5 Informative message, check