Information card for entry 7028183

Structure parameters

• Chemical name: mer,trans-tricarbonyl-hydride-bis(diphenyl-methyl-phosphinite)rhenium(I)
• Formula: C29 H27 O5 P2 Re
• Calculated formula: C29 H27 O5 P2 Re
• SMILES: [ReH](C#[O])(C#[O])(C#[O])([P](OC)(c1ccccc1)c1ccccc1)[P](OC)(c1ccccc1)c1ccccc1
• 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: 8.629 ± 0.002 Å
• b: 30.72 ± 0.011 Å
• c: 10.617 ± 0.002 Å
• α: 90°
• β: 91.29 ± 0.01°
• γ: 90°
• Cell volume: 2813.7 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.0597
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No