Acta Cryst. (2011). E67, m1097  [ doi:10.1107/S1600536811027644 ]

[Bis(pyridin-2-ylmethyl) ether]trichloridorhodium(III) dichloromethane monosolvate: unusual hydrolysis of the methylene bridge in (pyrazolylmethyl)pyridine

S. O. Ojwach, B. Omondi and J. Darkwa

Online 16 July 2011

Key indicators

• Single-crystal X-ray study
• T = 100 K
• Mean (C-C) = 0.009 Å
• R factor = 0.048
• wR factor = 0.139
• Data-to-parameter ratio = 21.5

checkCIF/PLATON results

No syntax errors found




Alert level B
PLAT973_ALERT_2_B Large Calcd. Positive Residual Density on    Rh1       1.51 eA-3 

Alert level C
PLAT342_ALERT_3_C Low Bond Precision on  C-C Bonds ...............     0.0085 Ang  
PLAT912_ALERT_4_C Missing # of FCF Reflections Above STh/L=  0.600         76      

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.       6.07      
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         39     
            C12 -N2  -RH1 -CL1   161.60  0.90   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         40     
            C8  -N2  -RH1 -CL1   -15.80  1.50   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         47     
            C5  -N1  -RH1 -CL3  -129.90  1.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         48     
            C1  -N1  -RH1 -CL3    42.80  1.30   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         55     
            C6  -O1  -RH1 -CL2   -43.00  2.00   1.555   1.555   1.555   1.555  
PLAT710_ALERT_4_G Delete 1-2-3 or 2-3-4 Linear Torsion Angle ... #         56     
            C7  -O1  -RH1 -CL2    84.60  1.90   1.555   1.555   1.555   1.555  
PLAT960_ALERT_3_G Number of Intensities with I .LT. - 2*sig(I) ...          7      

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

   0 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   2 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
   7 ALERT type 4 Improvement, methodology, query or suggestion
   1 ALERT type 5 Informative message, check

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