(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2004). E60, m622-m624 [ doi:10.1107/S1600536804009067 ]

Hexaaquachromium(III) triaquabis(benzene-1,3-dioxyacetato)sodate(I) pentahydrate

S. Gao, J.-W. Liu, L.-H. Huo, H. Zhao and J.-G. Zhao

Online 24 April 2004

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.003 Å
R factor = 0.041
wR factor = 0.107
Data-to-parameter ratio = 14.2

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.04       
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.02       
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........         18       
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1       
              C20 H22 Na O15                                                    
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          6       
              H2 O                                                              

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   5 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
   2 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
   3 ALERT type 4 Improvement, methodology, query or suggestion