Information card for entry 7028182

Structure parameters

• Chemical name: cis-tetracarbonyl-hydride-(diphenyl-methyl-phosphinite)rhenium(I)
• Formula: C17 H14 O5 P Re
• Calculated formula: C17 H14 O5 P Re
• SMILES: [ReH]([P](OC)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Preparation, characterisation and reactivity of a series of classical and non-classical rhenium hydride complexes ‡
• Authors of publication: Albertin, Gabriele; Antoniutti, Stefano; Garcia-Fontán, Soledad; Carballo, Rosa; Padoan, Fabio
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 12
• Pages of publication: 2071
• a: 8.498 ± 0.007 Å
• b: 9.706 ± 0.008 Å
• c: 11.5359 ± 0.001 Å
• α: 83.84 ± 0.06°
• β: 88.46 ± 0.06°
• γ: 74.28 ± 0.08°
• Cell volume: 910.6 ± 1.1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.0828
• Goodness-of-fit parameter for all reflections: 1.063
• Goodness-of-fit parameter for significantly intense reflections: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No