(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2012). E68, m510 [ doi:10.1107/S1600536812012421 ]

trans-Bis[(2-bromophenyl)diphenylphosphane-P]carbonylchloridorhodium(I)

F. P. Malan, R. Malgas-Enus and R. Meijboom

Online 31 March 2012

Key indicators

Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.004 Å
Disorder in main residue
R factor = 0.027
wR factor = 0.063
Data-to-parameter ratio = 18.8

checkCIF/PLATON results

No syntax errors found




Alert level C
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         23      

Alert level G
PLAT005_ALERT_5_G No _iucr_refine_instructions_details in CIF ....          ?
PLAT128_ALERT_4_G Alternate Setting of Space-group P21/c   .......      P21/n      
PLAT301_ALERT_3_G Note: Main Residue  Disorder ...................          7 Perc.
PLAT432_ALERT_2_G Short Inter X...Y Contact  C6     ..  C6      ..       3.17 Ang. 
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          1     
            C1  -RH1 -C1  -O1      9.00  0.00   3.657   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          2     
            P1  -RH1 -C1  -O1    100.00 20.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          3     
            P1  -RH1 -C1  -O1    -80.00 20.00   3.657   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          4     
            CL1 -RH1 -C1  -O1    -20.00 30.00   3.657   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          5     
            CL1 -RH1 -C1  -O1    160.00 30.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #          8     
            P1  -RH1 -P1  -C14   -93.80  0.10   3.657   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         13     
            P1  -RH1 -P1  -C2     23.42  0.13   3.657   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         18     
            P1  -RH1 -P1  -C8    144.10  0.13   3.657   1.555   1.555   1.555  

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

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