(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m2142-m2144 [ doi:10.1107/S1600536805030096 ]

Dichloro[8-(1,3-benzothiazol-2-ylsulfanylmethyl)quinoline-N,N']palladium(II)

R.-F. Song, J.-H. Liu, H. Qian and K.-Y. Zhao

Online 30 September 2005

Key indicators

Single-crystal X-ray study
T = 193 K
Mean (C-C) = 0.004 Å
R factor = 0.023
wR factor = 0.059
Data-to-parameter ratio = 14.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       0.97       
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT431_ALERT_2_C Short Inter HL..A Contact  Cl1    ..  S1      ..       3.40 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H9     ..  CL1     ..       2.94 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H8     ..  CL2     ..       2.84 Ang.  
PLAT480_ALERT_4_C Long H...A H-Bond Reported H3     ..  CL1     ..       2.92 Ang.  
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          8     
            CL1 -PD1 -N2  -C16  -122.50  0.40   1.555   1.555   1.555   1.555   

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 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
   5 ALERT type 4 Improvement, methodology, query or suggestion