Information card for entry 4078333

Structure parameters

• Formula: C20 H14 Mo2 O7 Ru
• Calculated formula: C20 H14 Mo2 O7 Ru
• SMILES: [Mo]123456([Ru]78([Mo]9%10%11%121(C#[O])(C#[O])([cH]1[cH]%12[cH]%11[cH]%10[cH]91)[C]67=[CH]8C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Rearrangement and Scission of Terminal Alkynes in Dimolybdenum Complexes on Reaction with Ruthenium Carbonyl: Formation of Trinuclear Vinylidene and Hexanuclear Bis(alkylidyne) Clusters
• Authors of publication: Adams, Harry; Gill, Louise J.; Morris, Michael J.
• Journal of publication: Organometallics
• Year of publication: 1996
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 4182
• a: 9.307 ± 0.001 Å
• b: 16.19 ± 0.002 Å
• c: 13.955 ± 0.001 Å
• α: 90°
• β: 96.35 ± 0.01°
• γ: 90°
• Cell volume: 2089.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections: 0.1225
• Weighted residual factors for significantly intense reflections: 0.1205
• Goodness-of-fit parameter for all reflections: 1.274
• Goodness-of-fit parameter for significantly intense reflections: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No