Acyclic polythioether complexes: Preparation and crystal structure of tricarbonyl(2,5,8-trithianonane)molybdenum(0)

Michael T. Ashby, John H. Enemark, Dennis L Lichtenberger, Richard B. Ortega

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Abstract

Tricarbonyl(2,5,8-trithianonane)molybdenum(0) has been prepared and characterized by single-crystal X-ray crystallography. The compound crystallizes in the monoclinic space group P21/n with a = 7.255 (3) Å, b = 12.270 (3) Å, c = 15.229 (3) Å, β = 96.51 (2)°, V = 1346.9 (6) Å3, and Z = 4. The structure was solved by using the heavy-atom Patterson method followed by least-squares refinement using 3039 independent reflections to a final R1 value of 0.026 (R2 = 0.031). A detailed comparison is made between the structural and spectroscopic data obtained for tricarbonyl(2,5,8-trithianonane)molybdenum(0) and those previously reported for tricarbonyl(1,4,7-trithiacyclononane)molybdenum(0). This comparison suggests that the sulfur donor orbitals for tricarbonyl(2,5,8-trithianonane)molybdenum(0) are more favorably directed toward the empty metal orbitals than those for tricarbonyl(1,4,7-trithiacyclononane)molybdenum(0).

Original languageEnglish (US)
Pages (from-to)3154-3157
Number of pages4
JournalInorganic Chemistry
Volume25
Issue number18
StatePublished - 1986

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Molybdenum
molybdenum
Crystal structure
preparation
crystal structure
orbitals
X ray crystallography
Sulfur
crystallography
sulfur
Metals
Single crystals
Atoms
single crystals
metals
atoms
x rays

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  • Inorganic Chemistry

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Acyclic polythioether complexes : Preparation and crystal structure of tricarbonyl(2,5,8-trithianonane)molybdenum(0). / Ashby, Michael T.; Enemark, John H.; Lichtenberger, Dennis L; Ortega, Richard B.

In: Inorganic Chemistry, Vol. 25, No. 18, 1986, p. 3154-3157.

Research output: Contribution to journalArticle

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N2 - Tricarbonyl(2,5,8-trithianonane)molybdenum(0) has been prepared and characterized by single-crystal X-ray crystallography. The compound crystallizes in the monoclinic space group P21/n with a = 7.255 (3) Å, b = 12.270 (3) Å, c = 15.229 (3) Å, β = 96.51 (2)°, V = 1346.9 (6) Å3, and Z = 4. The structure was solved by using the heavy-atom Patterson method followed by least-squares refinement using 3039 independent reflections to a final R1 value of 0.026 (R2 = 0.031). A detailed comparison is made between the structural and spectroscopic data obtained for tricarbonyl(2,5,8-trithianonane)molybdenum(0) and those previously reported for tricarbonyl(1,4,7-trithiacyclononane)molybdenum(0). This comparison suggests that the sulfur donor orbitals for tricarbonyl(2,5,8-trithianonane)molybdenum(0) are more favorably directed toward the empty metal orbitals than those for tricarbonyl(1,4,7-trithiacyclononane)molybdenum(0).

AB - Tricarbonyl(2,5,8-trithianonane)molybdenum(0) has been prepared and characterized by single-crystal X-ray crystallography. The compound crystallizes in the monoclinic space group P21/n with a = 7.255 (3) Å, b = 12.270 (3) Å, c = 15.229 (3) Å, β = 96.51 (2)°, V = 1346.9 (6) Å3, and Z = 4. The structure was solved by using the heavy-atom Patterson method followed by least-squares refinement using 3039 independent reflections to a final R1 value of 0.026 (R2 = 0.031). A detailed comparison is made between the structural and spectroscopic data obtained for tricarbonyl(2,5,8-trithianonane)molybdenum(0) and those previously reported for tricarbonyl(1,4,7-trithiacyclononane)molybdenum(0). This comparison suggests that the sulfur donor orbitals for tricarbonyl(2,5,8-trithianonane)molybdenum(0) are more favorably directed toward the empty metal orbitals than those for tricarbonyl(1,4,7-trithiacyclononane)molybdenum(0).

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