(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, m733-m735 [ doi:10.1107/S160053680500810X ]

Bis(4-amino-3-methylpyridine)diisothiocyanatozinc(II)

S. Chantrapromma, H.-K. Fun, X.-J. Feng, J.-X. Yang, J.-Y. Wu and Y.-P. Tian

Online 25 March 2005

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.031
wR factor = 0.089
Data-to-parameter ratio = 19.7

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT066_ALERT_1_C Predicted and Reported Transmissions Identical .          ?
PLAT230_ALERT_2_C Hirshfeld Test Diff for    S1     -   C7      ..       5.17 su    
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for         N3     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C7     
PLAT242_ALERT_2_C Check Low       Ueq as Compared to Neighbors for         C8     
PLAT420_ALERT_2_C D-H Without Acceptor       N4     -   H4A    ...          ?       
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         10     
            N2  -ZN1 -N3  -C8    180.00  0.02   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         11     
            N1  -ZN1 -N3  -C8     62.21  0.06   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         12     
            N1  -ZN1 -N3  -C8    -62.21  0.05   8.565   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         26     
            ZN1 -N2  -C7  -S1      0.00  0.01   1.555   1.555   1.555   1.555   
PLAT710_ALERT_4_C Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         27     
            ZN1 -N3  -C8  -S2    180.00  0.01   1.555   1.555   1.555   1.555   

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
  11 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
   5 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