Acta Cryst. (2006). E62, m3104-m3106  [ doi:10.1107/S1600536806043996 ]

Intramolecular - stacking and bromine interactions in (2,2'-bipyridine-²N,N')dibromo-cis-bis[1,1-diphenylhydrazido(2-)]molybdenum(VI)

C. Bustos, C. Sánchez, E. Schott, M. T. Garland and L. Alvarez-Thon

Online 27 October 2006

Key indicators

• Single-crystal X-ray study
• T = 298 K
• Mean (C-C) = 0.008 Å
• R factor = 0.042
• wR factor = 0.100
• Data-to-parameter ratio = 16.6

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT094_ALERT_2_C Ratio of Maximum / Minimum Residual Density ....       2.03      
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.75 Ratio
PLAT232_ALERT_2_C Hirshfeld Test Diff (M-X)  Mo1    -   Br1     ..       6.08 su   
PLAT480_ALERT_4_C Long H...A H-Bond Reported H2     ..  BR2     ..       2.95 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H33    ..  BR2     ..       3.06 Ang. 
PLAT480_ALERT_4_C Long H...A H-Bond Reported H19    ..  BR1     ..       3.03 Ang. 

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

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