(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2006). E62, m1731-m1733 [ doi:10.1107/S160053680602486X ]

Poly[tetrakis(4-aminopyridinium) [hexadeca--oxo-decaoxooctamolybdate(VI)]]

J. R. Nelson, A. Narducci Sarjeant and A. J. Norquist

Online 6 July 2006

Key indicators

Single-crystal X-ray study
T = 110 K
Mean (C-C) = 0.007 Å
R factor = 0.022
wR factor = 0.047
Data-to-parameter ratio = 11.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT041_ALERT_1_C Calc. and Rep. SumFormula Strings    Differ ....          ?
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT045_ALERT_1_C Calculated and Reported Z Differ by ............       2.00 Ratio 
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.36       
PLAT432_ALERT_2_C Short Inter X...Y Contact  O2     ..  C7      ..       3.01 Ang.  

   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

   3 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
   0 ALERT type 4 Improvement, methodology, query or suggestion