(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, m1355-m1356 [ doi:10.1107/S1600536808031425 ]

Tris{N-[(anthracen-9-yl)methyleneamino]thioureato}cobalt(III) tetrahydrate

J. Zhao and Y. Zhang

Online 4 October 2008

Key indicators

Single-crystal X-ray study
T = 291 K
Mean (C-C) = 0.005 Å
Disorder in solvent or counterion
R factor = 0.057
wR factor = 0.132
Data-to-parameter ratio = 15.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT420_ALERT_2_C D-H Without Acceptor       N3     -   H3A    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N3     -   H3B    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N6     -   H6A    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N6     -   H6B    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N9     -   H9A    ...          ?      
PLAT420_ALERT_2_C D-H Without Acceptor       N9     -   H9B    ...          ?      
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #         11      
              H2 O                                                             

Alert level G
PLAT302_ALERT_4_G Anion/Solvent Disorder .........................      33.00 Perc.

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   8 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
   6 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check