(IUCr) Crystallography Journals Online checkcif report

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Acta Cryst. (2002). E58, m564-m565 [ doi:10.1107/S1600536802016896 ]

[2,6-Bis(3,4-dihydro-2H-pyrrol-5-yl)pyridine]trichlororhodium(III) dibenzene solvate

A. Cabort, B. Therrien, K. Bernauer and G. Süss-Fink

Key indicators

Single-crystal X-ray study
T = 153 K
Mean (C-C) = 0.004 Å
R factor = 0.026
wR factor = 0.059
Data-to-parameter ratio = 15.9

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     34
                   C5  -N2  -RH1 -CL2  -142.00 50.00   1.555   1.555   1.555   1.555

PLAT_710  Alert C Delete 1-2-3 or 2-3-4 (CIF) Linear Torsion Angle #     35
                   C5  -N2  -RH1 -CL2    38.00 45.00   2.555   1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc    88.68(3), Rep    88.68(1) ....       2.14 s.u-Ratio
                     N2   -RH1  -CL1     1.555   1.555   1.555

PLAT_732  Alert C Angle   Calc    91.32(3), Rep    91.32(1) ....       2.14 s.u-Ratio
                     CL1  -RH1  -CL2     1.555   1.555   1.555

PLAT_733  Alert C Torsion Calc      0.3(3), Rep    0.33(14) ....       2.14 s.u-Ratio
                     C5  -C6  -C7  -C6     1.555   1.555   1.555   2.555

PLAT_733  Alert C Torsion Calc      0.3(3), Rep    0.34(14) ....       2.14 s.u-Ratio
                     C6  -C5  -N2  -C5     1.555   1.555   1.555   2.555

PLAT_733  Alert C Torsion Calc      1.9(3), Rep    1.90(13) ....       2.31 s.u-Ratio
                     C4  -N1  -RH1 -N1     1.555   1.555   1.555   2.555

General Notes



FORMU_01  There is a discrepancy between the atom counts in the                 
          _chemical_formula_sum and _chemical_formula_moiety. This is           
          usually due to the moiety formula being in the wrong format.          
          Atom count from _chemical_formula_sum:   C25 H27 Cl3 N3 Rh1           
          Atom count from _chemical_formula_moiety:C37 H39 Cl3 N3 Rh1           

ABSTM_02  When printed, the submitted absorption T values will be replaced      
          by the scaled T values. Since the ratio of scaled T's is              
          identical to the ratio of reported T values, the scaling does         
          not imply a change to the absorption corrections used in the          
          study.                                                                
          Ratio of Tmax expected/reported      1.096                            
          Tmax scaled      0.903 Tmin scaled      0.543                         


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 7 Alert Level C = Please check