Acta Cryst. (2012). E68, i62-i63
[ doi:10.1107/S1600536812029960 ]

Dilithium disodium nickel(II) cyclohexaphosphate dodecahydrate, Li₂Na₂NiP₆O₁₈·12H₂O

S. Abid, S. S. Al-Deyab and M. Rzaigui

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (Ni-O) = 0.002 Å
• R factor = 0.044
• wR factor = 0.102
• Data-to-parameter ratio = 32.7

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT417_ALERT_2_B Short Inter D-H..H-D       H112   ..  H112    ..       1.96 Ang. 

Alert level C
PLAT042_ALERT_1_C Calc. and Reported MoietyFormula Strings  Differ          ?
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          3      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600          7      
PLAT975_ALERT_2_C Positive Residual Density at 0.93A from O12    .       0.51 eA-3 
PLAT975_ALERT_2_C Positive Residual Density at 0.64A from O13    .       0.44 eA-3 
PLAT976_ALERT_2_C Negative Residual Density at 0.95A from O12    .      -0.55 eA-3 
PLAT976_ALERT_2_C Negative Residual Density at 0.65A from O15    .      -0.42 eA-3 
PLAT976_ALERT_2_C Negative Residual Density at 0.47A from O11    .      -0.42 eA-3 

Alert level G
PLAT002_ALERT_2_G Number of Distance or Angle Restraints on AtSite          3      
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT007_ALERT_5_G Note: Number of Unrefined D-H Atoms ............         12      
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          2      

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

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   7 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
   0 ALERT type 4 Improvement, methodology, query or suggestion
   2 ALERT type 5 Informative message, check

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