Information card for entry 4116309

Structure parameters

• Chemical name: tetraphenylphosphonium nonacarbonyltri(μ-hydrido)(μ~3~-methyl)trirhenate diethylether solvate
• Formula: C38 H36 O10 P Re3
• Calculated formula: C34 H26 O9 P Re3
• SMILES: [Re]12([H][Re]4([H][Re]([H]1)([CH3]24)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A Methyl Group Bridging on Three Metal Atoms. Solid-State and Solution Structural Characterization of the [Re3(μ-H)3(μ3-CH3)(CO)9]- Anion
• Authors of publication: T. Beringhelli; G. D'Alfonso; M. Panigati; F. Porta; P. Mercandelli; M. Moret; A. Sironi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 2307 - 2308
• a: 14.083 ± 0.003 Å
• b: 12.329 ± 0.001 Å
• c: 23.834 ± 0.003 Å
• α: 90°
• β: 97.36 ± 0.01°
• γ: 90°
• Cell volume: 4104.2 ± 1.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0355
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for all reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0443
• Goodness-of-fit parameter for all reflections: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No