Information card for entry 7010784

Structure parameters

• Formula: C27 H20 Mo2 O3 Ru S2
• Calculated formula: C27 H20 Mo2 O3 Ru S2
• SMILES: [Ru]123([Mo]456789%10%11([Mo]%12%13%14%15%161([S]24)([S]35)([cH]1[cH]%12[cH]%13[cH]%14[cH]%151)[C]%10(=[C]%11%16c1ccccc1)c1ccccc1)[cH]1[cH]6[cH]7[cH]8[cH]91)(C#[O])(C#[O])C#[O]
• 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: 34.187 ± 0.006 Å
• b: 7.8516 ± 0.0013 Å
• c: 41.618 ± 0.007 Å
• α: 90°
• β: 113.969 ± 0.003°
• γ: 90°
• Cell volume: 10208 ± 3 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: 0.1257
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No