(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2005). E61, o442-o444 [ doi:10.1107/S1600536805001121 ]

Guanidinium 4-hydroxypyridinium-2,6-dicarboxylate

A. Moghimi, H. Aghabozorg, J. Soleimannejad and F. Ramezanipour

Online 29 January 2005

Key indicators

Single-crystal X-ray study
T = 120 K
Mean (C-C) = 0.003 Å
R factor = 0.056
wR factor = 0.133
Data-to-parameter ratio = 14.8

checkCIF/PLATON results

No syntax errors found



Alert level A
PLAT093_ALERT_1_A No su's on H-atoms, but refinement reported as .      mixed     

Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......       0.97       
PLAT042_ALERT_1_C Calc. and Rep. MoietyFormula Strings Differ ....          ?
PLAT062_ALERT_4_C Rescale T(min) & T(max) by .....................       1.02       
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.52 Ratio 
PLAT355_ALERT_3_C Long    O-H Bond (0.82A)   O1     -   H1O    ...       1.01 Ang.  
PLAT369_ALERT_2_C Long   C(sp2)-C(sp2) Bond  C1     -   C6     ...       1.53 Ang.  
PLAT432_ALERT_2_C Short Inter X...Y Contact  C1C    ..  C2      ..       3.17 Ang.  
PLAT720_ALERT_4_C Number of Unusual/Non-Standard Label(s) ........          6       

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

   2 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
   3 ALERT type 3 Indicator that the structure quality may be low
   2 ALERT type 4 Improvement, methodology, query or suggestion