Acta Cryst. (2011). E67, m129-m130  [ doi:10.1107/S1600536810053419 ]

Bis(2,3,5,6-tetra-2-pyridylpyrazine-³N²,N¹,N⁶)nickel(II) dithiocyanate dihydrate

N. De la Pinta, M. L. Fidalgo, J. M. Ezpeleta, R. Cortés and G. Madariaga

Online 24 December 2010

Key indicators

• Single-crystal X-ray study
• T = 293 K
• Mean (C-C) = 0.003 Å
• R factor = 0.048
• wR factor = 0.123
• Data-to-parameter ratio = 23.1

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          7      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        676      

Alert level G
PLAT860_ALERT_3_G Note: Number of Least-Squares Restraints .......          4      
PLAT199_ALERT_1_G Check the Reported _cell_measurement_temperature        293 K    
PLAT200_ALERT_1_G Check the Reported   _diffrn_ambient_temperature        293 K    
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          2      
PLAT794_ALERT_5_G Note: Tentative Bond Valency for Ni1     .......       2.25      

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

   2 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   0 ALERT type 2 Indicator that the structure model may be wrong or deficient
   2 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

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