(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2013). E69, m157-m158
[ doi:10.1107/S160053681300425X ]

(1RS,2RS)-4,4'-(1-Azaniumyl-2-hydroxyethane-1,2-diyl)dipyridinium tetrachloridoplatinate(II) chloride

J. J. Campos-Gaxiola, J. L. Almaral-Sanchez, A. Cruz-Enríquez, H. Höpfl and M. Parra-Hake

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.010 Å
R factor = 0.038
wR factor = 0.091
Data-to-parameter ratio = 13.4

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT029_ALERT_3_C _diffrn_measured_fraction_theta_full Low .......      0.979      
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0103 Ang  
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.595         62      
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.85 eA-3 
PLAT971_ALERT_2_C Large Calcd. Non-Metal Positive Residual Density       1.80 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.63 eA-3 
PLAT972_ALERT_2_C Large Calcd. Non-Metal Negative Residual Density      -1.62 eA-3 
PLAT973_ALERT_2_C Large Calcd. Positive Residual Density on    Pt1       1.25 eA-3 

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite         10      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details  in the CIF          ?
PLAT042_ALERT_1_G Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT154_ALERT_1_G The su's on the Cell Angles are Equal ..........    0.00400 Deg. 
PLAT793_ALERT_4_G The Model has Chirality at C1      (Verify) ....          S      
PLAT793_ALERT_4_G The Model has Chirality at C2      (Verify) ....          S      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          6      
PLAT909_ALERT_3_G Percentage of Observed Data at Theta(Max) still          91 Perc.

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

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