Information card for entry 4086146

Structure parameters

• Formula: C60 H90 Ge2 O P2 Ru
• Calculated formula: C60 H90 Ge2 O P2 Ru
• SMILES: C1(CCCCC1)[P](C1CCCCC1)(C1CCCCC1)[RuH4]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[Ge](c2ccccc2)(c2ccccc2)O[Ge]1(c1ccccc1)c1ccccc1
• Title of publication: A Ruthenium Dihydrogen Germylene Complex and the Catalytic Synthesis of Digermoxane
• Authors of publication: Smart, Katharine A.; Mothes-Martin, Emmanuelle; Vendier, Laure; Perutz, Robin N.; Grellier, Mary; Sabo-Etienne, Sylviane
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 16
• Pages of publication: 4158
• a: 13.5815 ± 0.0006 Å
• b: 21.0328 ± 0.001 Å
• c: 24.2249 ± 0.0012 Å
• α: 69.112 ± 0.002°
• β: 79.918 ± 0.002°
• γ: 78.548 ± 0.002°
• Cell volume: 6295.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No