Acta Cryst. (2011). E67, m730  [ doi:10.1107/S160053681101645X ]

Bis(3,5,7-triaza-1-azoniatricyclo[3.3.1.1^3,7]decane) bis(1,2-dicyanoethene-1,2-dithiolato)nickelate(II)

C. Pan, B. Cai and W.-B. Pei

Online 7 May 2011

Key indicators

• Single-crystal X-ray study
• T = 296 K
• Mean (C-C) = 0.004 Å
• R factor = 0.038
• wR factor = 0.075
• Data-to-parameter ratio = 14.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT230_ALERT_2_C Hirshfeld Test Diff for    C3     --  C4      ..       5.50 su   
PLAT250_ALERT_2_C Large U3/U1 Ratio for Average U(i,j) Tensor ....       2.25      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         11      

Alert level G
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C1     -   C2     ...       1.43 Ang. 
PLAT371_ALERT_2_G Long   C(sp2)-C(sp1) Bond  C3     -   C4     ...       1.43 Ang. 

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

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

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