Information card for entry 4078334

Structure parameters

• Formula: C27 H18 Cl2 Mo2 O12 Ru4
• Calculated formula: C27 H18 Cl2 Mo2 O12 Ru4
• SMILES: [Ru]1234([Ru]56([Ru]71([Ru]185([Mo]59%10%11%12%1326([Mo]26%14%15371(C85C)(C49C)[cH]1[cH]%15[cH]%14[cH]6[cH]21)[cH]1[cH]%10[cH]%11[cH]%12[cH]%131)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].ClCCl
• 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: 15.126 ± 0.003 Å
• b: 14.672 ± 0.002 Å
• c: 15.196 ± 0.002 Å
• α: 90°
• β: 91.81 ± 0.01°
• γ: 90°
• Cell volume: 3370.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.1018
• Weighted residual factors for significantly intense reflections: 0.0985
• Goodness-of-fit parameter for all reflections: 1.224
• Goodness-of-fit parameter for significantly intense reflections: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No