Acta Cryst. (2002). E58, m93-m95  [ doi:10.1107/S1600536802002465 ]

cyclo-Decakis(-2,2-diphenylacetato-O,O')dodecakis(-methoxo)decairon(III)) mixed solvate

H. Kooijman, A. L. Spek, E. Bouwman, F. Miccichè, S. T. Warzeska and J. Reedijk

Online 22 February 2002

Key indicators

• Single-crystal X-ray study
• T = 150 K
• Mean (C-C) = 0.015 Å
• R factor = 0.078
• wR factor = 0.173
• Data-to-parameter ratio = 16.5

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



RINTA_01  Alert C The value of Rint is greater than 0.10                        
          Rint given   0.119                                                    

PLAT_213  Alert C Atom C31A    has ADP max/min Ratio ...........       3.20 prolate

PLAT_213  Alert C Atom C107    has ADP max/min Ratio ...........       3.30 prolate

PLAT_213  Alert C Atom C205    has ADP max/min Ratio ...........       3.30 prolate

PLAT_213  Alert C Atom C206    has ADP max/min Ratio ...........       3.80 prolate

PLAT_213  Alert C Atom C207    has ADP max/min Ratio ...........       3.50 prolate

PLAT_213  Alert C Atom C208    has ADP max/min Ratio ...........       3.50 prolate

PLAT_213  Alert C Atom C209    has ADP max/min Ratio ...........       3.40 prolate

PLAT_368  Alert C Short  C(sp2)-C(sp2) Bond  C(413) -   C(414) =       1.19 Ang.

PLAT_602  Alert C VERY LARGE Solvent Accessible VOID(S) in Structure      !


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 10 Alert Level C = Please check

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