(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2008). E64, m2 [ doi:10.1107/S1600536807061296 ]

-Oxido-bis{chlorido[tris(2-pyridylmethyl)amine]chromium(III)} bis(hexafluoridophosphate)

S. Li, S.-B. Wang, F.-L. Zhang and K. Tang

Online 6 December 2007

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R factor = 0.032
wR factor = 0.089
Data-to-parameter ratio = 13.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT152_ALERT_1_C Supplied and Calc Volume s.u. Inconsistent .....          ?
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)       3000 Deg. 
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C16    -   C17     ..       5.96 su   
PLAT231_ALERT_4_C Hirshfeld Test (Solvent)   P1     -   F6      ..       5.82 su   
PLAT244_ALERT_4_C Low   'Solvent' Ueq as Compared to Neighbors for         P1     

Alert level G
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported _diffrn_ambient_temperature .        293 K    

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

   5 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
   2 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check