Acta Cryst. (2011). E67, m48-m49  [ doi:10.1107/S1600536810050403 ]

trans-Bis(N,N-diethylethylenediamine)nickel(II) dibromide

S. J. Ferrara, J. T. Mague and J. P. Donahue

Online 8 December 2010

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.002 Å
• R factor = 0.019
• wR factor = 0.050
• Data-to-parameter ratio = 13.9

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT222_ALERT_3_C Large Non-Solvent    H    Uiso(max)/Uso(min) ...       5.20 Ratio
PLAT153_ALERT_1_C The su's on the Cell Axes   are Equal (x 100000)        300 Ang. 
PLAT790_ALERT_4_C Centre of Gravity not Within Unit Cell: Resd.  #          1      
              C12 H32 N4 Ni                                                    
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600        125      

Alert level G
PLAT164_ALERT_4_G Nr. of Refined C-H H-Atoms in Heavy-Atom Struct.         14      

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

   1 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
   1 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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