(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m693-m694 [ doi:10.1107/S1600536805007567 ]

[N,N-Dimethyl-N'-(2-pyridylmethylene)ethane-1,2-diamine]dithiocyanatocopper(II)

G.-R. Yue, X.-J. Xu, Y.-Z. Shi and L. Feng

Online 18 March 2005

Key indicators

Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
R factor = 0.039
wR factor = 0.110
Data-to-parameter ratio = 20.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       3.85       
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C1     -   C6      ..       5.20 su    
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N4     
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N5     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        Cu1     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         N3     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C11     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for        C12     

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   8 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion