Information card for entry 1507943

Structure parameters

• Formula: C30 H60 N2 O4 P2 Ru
• Calculated formula: C30 H60 N2 O4 P2 Ru
• SMILES: [Ru]12([P](CCN2CC[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(N=C=O)C#[O].O1CCCC1.O1CCCC1
• Title of publication: Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand.
• Authors of publication: Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 532 - 537
• a: 8.4996 ± 0.0003 Å
• b: 21.0038 ± 0.0007 Å
• c: 19.3021 ± 0.0007 Å
• α: 90°
• β: 90.1511 ± 0.0017°
• γ: 90°
• Cell volume: 3445.9 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0697
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No