Acta Cryst. (2011). E67, m1337  [ doi:10.1107/S1600536811035811 ]

Dibromidooxido[(Z)-N'-(propan-2-ylidene)benzohydrazidato](triphenylphosphane)rhenium(V)

N. Yumata, T. Gerber and R. Betz

Online 14 September 2011

Key indicators

• Single-crystal X-ray study
• T = 200 K
• Mean (C-C) = 0.006 Å
• R factor = 0.028
• wR factor = 0.066
• Data-to-parameter ratio = 21.1

checkCIF/PLATON results

No syntax errors found



Datablock: I



Alert level B
PLAT919_ALERT_3_B Reflection # Likely Affected by the Beamstop ...          1      
PLAT934_ALERT_3_B Number of (Iobs-Icalc)/SigmaW .gt. 10 Outliers .          4      

Alert level C
PLAT480_ALERT_4_C Long H...A H-Bond Reported H22    ..  BR3     ..       2.94 Ang. 

PLAT910_ALERT_3_C Missing # of FCF Reflections Below Th(Min) .....          1      
PLAT911_ALERT_3_C Missing # FCF Refl Between THmin & STh/L=  0.600         18      
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         38      
PLAT913_ALERT_3_C Missing # of Very Strong Reflections in FCF ....          2      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT083_ALERT_2_G SHELXL Second Parameter in WGHT Unusually Large.      13.16      
PLAT180_ALERT_4_G Check Cell Rounding: # of Values Ending with 0 =          3      
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re1    --  Br1     ..       16.0 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re1    --  Br2     ..       10.5 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re2    --  Br3     ..       10.5 su   
PLAT232_ALERT_2_G Hirshfeld Test Diff (M-X)  Re2    --  Br4     ..       13.0 su   

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   5 ALERT type 2 Indicator that the structure model may be wrong or deficient
   5 ALERT type 3 Indicator that the structure quality may be low
   3 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

Copyright © International Union of Crystallography
IUCr Webmaster