(IUCr) Crystallography Journals Online checkcif report

Acta Cryst. (2008). E64, i15 [ doi:10.1107/S1600536808001992 ]

Terbium(III) hydrogendiphosphate(V) tetrahydrate

K. Fejfarová, R. Essehli, B. El Bali and M. Dusek

Online 23 January 2008

Key indicators

Single-crystal X-ray study
T = 295 K
Mean (P-O) = 0.002 Å
R factor = 0.012
wR factor = 0.034
Data-to-parameter ratio = 11.9

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H41    ..  H112    ..       1.94 Ang. 

Alert level C
PLAT220_ALERT_2_C Large Non-Solvent    O     Ueq(max)/Ueq(min) ...       2.97 Ratio

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......         10      

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

   1 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
   1 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check