Information card for entry 2213035

Structure parameters

• Chemical name: Tris[1,2,3(η^5^)-methylcyclopentadienyl]-μ~3~-sulfido-tri-μ~2~-sulfido- tritungsten <i>p</i>-toluenesulfonate
• Formula: C25 H28 O3 S5 W3
• Calculated formula: C25 H28 O3 S5 W3
• SMILES: [W]12345678([W]9%10%11%12%13%14([W]%15%16%17%181(S9)(S3)([S]4%10)[c]1([cH]%18[cH]%17[cH]%16[cH]%151)C)(S2)[c]1([cH]%11[cH]%12[cH]%13[cH]%141)C)[c]1([cH]8[cH]7[cH]6[cH]51)C.S(=O)(=O)([O-])c1ccc(cc1)C
• Title of publication: Tris[1,2,3(η^5^)-methylcyclopentadienyl]-μ~3~-sulfido-tri-μ~2~-sulfido-tritungsten <i>p</i>-toluenesulfonate
• Authors of publication: Herbst, Konrad; Dahlenburg, Lutz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m1099 - m1100
• a: 10.629 ± 0.001 Å
• b: 11.365 ± 0.002 Å
• c: 11.44 ± 0.006 Å
• α: 94.05 ± 0.03°
• β: 95.12 ± 0.03°
• γ: 94.61 ± 0.01°
• Cell volume: 1367.7 ± 0.8 ų
• Cell temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.1064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes