Information card for entry 7010782

Structure parameters

• Formula: C35 H39 Mo2 O5.5 Ru2 S3
• Calculated formula: C35 H39 Mo2 O5.5 Ru2 S3
• SMILES: [Mo]123456789([Mo]%10%11%12%13%14%15%16([Ru]%171([Ru]12%10([S]%17C(C)C)(C#[O])(C#[O])[C]9(=[C]%161c1ccccc1)c1ccccc1)([S]3%11)(C#[O])C#[O])([S]4C(C)C)[cH]1[cH]%15[cH]%14[cH]%13[cH]%121)[cH]1[cH]5[cH]6[cH]7[cH]81.O.CO
• Title of publication: A dimolybdenum complex with an alkyne ligand parallel to the metal‒metal bond: synthesis, structure and cluster formation reactions of [Mo2(µ-η1,η1-C2Ph2)(µ-S)(µ-SPri)2Cp2]
• Authors of publication: Adams, Harry; Morris, Michael J.; Mountford, Philip; Patel, Rushmiben; Spey, Sharon E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 2601
• a: 9.7777 ± 0.0005 Å
• b: 23.9675 ± 0.0014 Å
• c: 32.467 ± 0.0018 Å
• α: 90°
• β: 97.898 ± 0.001°
• γ: 90°
• Cell volume: 7536.4 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No