Information card for entry 7027056

Structure parameters

• Chemical name: (orthometallated BINAP)hydridooctacarbonyltriosmium
• Formula: C52 H32 O8 Os3 P2
• Calculated formula: C52 H31 O8 Os3 P2
• SMILES: [Os]123([Os]45([Os]1([C]12C=CC=C[C]3=1[P]4(c1ccccc1)c1ccc2ccccc2c1c1c([P]5(c2ccccc2)c2ccccc2)ccc2ccccc12)(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Trinuclear clusters of osmium containing monodentate, chelating and orthometallated forms of 2,2′-bis(diphenylphosphino)-1,1′-binaphthyl (BINAP)
• Authors of publication: Deeming, Antony J.; Stchedroff, Marc
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3819
• a: 10.661 ± 0.004 Å
• b: 21.265 ± 0.016 Å
• c: 24.214 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5489 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1131
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections: 0.2727
• Weighted residual factors for significantly intense reflections: 0.2411
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No