Information card for entry 7110777

Structure parameters

• Formula: C36 H72 P2 Ru
• Calculated formula: C36 H72 P2 Ru
• SMILES: [RuH2]12([H][H]1)([H][H]2)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: X-Ray crystal structure of the bis(dihydrogen) complex RuH2(H2)2(PCy3)2
• Authors of publication: Borowski, Andrzej F.; Donnadieu, Bruno; Daran, Jean-Claude; Sabo-Etienne, Sylviane; Chaudret, Bruno
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 7
• Pages of publication: 543
• a: 8.1781 ± 0.0013 Å
• b: 9.9339 ± 0.0017 Å
• c: 11.7055 ± 0.0019 Å
• α: 76.183 ± 0.019°
• β: 84.449 ± 0.019°
• γ: 69.386 ± 0.018°
• Cell volume: 864.2 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No