Acta Cryst. (2008). E64, m1636  [ doi:10.1107/S1600536808038749 ]

trans-Bis(5,5-diphenylhydantoinato-N³)bis(propane-1,2-diamine-²N,N')nickel(II)

X. Hu, X. Xu, D. Wang and X. Li

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.003 Å
• Disorder in main residue
• R factor = 0.028
• wR factor = 0.075
• Data-to-parameter ratio = 12.5

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   298.000
            Value of melting point given =     0.000
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       3.10 Ratio
PLAT222_ALERT_3_C Large Non-Solvent    H     Ueq(max)/Ueq(min) ...       3.28 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    --  N3      ..       6.41 su   
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Ni1    --  N4      ..       5.46 su   
PLAT241_ALERT_2_C Check High      Ueq as Compared to Neighbors for        C14     
PLAT301_ALERT_3_C Main Residue  Disorder .........................      11.00 Perc.
PLAT234_ALERT_4_C Large Hirshfeld Difference C13    --  C14     ..       0.12  Ang.

Alert level G
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          5     
            N2  -NI1 -N2  -C2      0.00  0.00   2.666   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         10     
            N2  -NI1 -N2  -C1     18.00  0.00   2.666   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         11     
            N3  -NI1 -N3  -C16    12.00  0.00   2.666   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         16     
            N3  -NI1 -N3  -C16'   10.00  0.00   2.666   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         23     
            N4  -NI1 -N4  -C17'   11.00  0.00   2.666   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         28     
            N4  -NI1 -N4  -C17     8.00  0.00   2.666   1.555   1.555   1.555  
PLAT720_ALERT_4_G Number of Unusual/Non-Standard Labels ..........          4      
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......      26.90 Deg. 
              C16  -N3   -C16'    1.555   1.555   1.555                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......      27.10 Deg. 
              H3A  -N3   -H3'A    1.555   1.555   1.555                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......      24.90 Deg. 
              H3B  -N3   -H3'B    1.555   1.555   1.555                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......      30.60 Deg. 
              C17' -N4   -C17     1.555   1.555   1.555                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......      29.00 Deg. 
              H4A  -N4   -H4'A    1.555   1.555   1.555                        
PLAT779_ALERT_4_G Suspect or Irrelevant (Bond) Angle in CIF ......      31.90 Deg. 
              H4B  -N4   -H4'B    1.555   1.555   1.555                        
PLAT793_ALERT_4_G The Model has Chirality at C17     (Verify) ....          S      

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

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

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