Information card for entry 7105847

Structure parameters

• Formula: C40 H53 Ge P Ru S
• Calculated formula: C40 H53 Ge P Ru S
• SMILES: [Ru]1234567([Ge]([S]1)(c1c(cccc1c1c(cc(cc1C)C)C)[c]12[c]3([cH]4[c]5([cH]6[c]71C)C)C)c1c(cccc1CC)CC)[P](CC)(CC)CC
• Title of publication: Dihydrogen activation by sulfido-bridged dinuclear Ru/Ge complexes: insight into the [NiFe] hydrogenase unready state
• Authors of publication: Tsuyoshi Matsumoto; Naohisa Itakura; Yukiko Nakaya; Kazuyuki Tatsumi
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 1030
• a: 16.292 ± 0.002 Å
• b: 9.2011 ± 0.0014 Å
• c: 24.751 ± 0.004 Å
• α: 90°
• β: 91.198 ± 0.002°
• γ: 90°
• Cell volume: 3709.5 ± 0.9 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173 ± 2 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 significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.1583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No