(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, o18-o19 [ doi:10.1107/S1600536811051105 ]

1,1-Dimethylbiguanidium(2+) dinitrate

M. Fridrichová, I. Císarová and I. Nemec

Online 3 December 2011

Key indicators

Single-crystal X-ray study
T = 150 K
Mean (N-C) = 0.002 Å
R factor = 0.041
wR factor = 0.113
Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......      0.976      
PLAT031_ALERT_4_C Refined Extinction Parameter within Range ......      3.083 Sigma
PLAT480_ALERT_4_C Long H...A H-Bond Reported H22    ..  O6      ..       2.64 Ang. 
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         49      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600          4      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....         31      

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         11      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT432_ALERT_2_G Short Inter X...Y Contact  O1     ..  C2      ..       2.93 Ang. 
PLAT432_ALERT_2_G Short Inter X...Y Contact  O1     ..  C1      ..       3.01 Ang. 
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          7      

   0 ALERT level A = Most likely a serious problem - resolve or explain
   0 ALERT level B = A potentially serious problem, consider carefully
   7 ALERT level C = Check. Ensure it is not caused by an omission or oversight
   5 ALERT level G = General information/check it is not something unexpected

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   3 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check