Information card for entry 4078468

Structure parameters

• Formula: C43 H93 Cl6 P4 Ru2
• Calculated formula: C43 H93 Cl6 P4 Ru2
• SMILES: [PH+](C(C)C)(C(C)C)C(C)C.[Ru]12([Cl][Ru](Cl)([Cl]1)([Cl]2)([P](C(C)C)(C(C)C)C(C)C)[P](C(C)C)(C(C)C)C(C)C)(Cl)(Cl)[P](C(C)C)(C(C)C)C(C)C.c1(ccccc1)C
• Title of publication: Reactions of an Osmium(IV) Complex with Allenedienes: Coordination and Intramolecular Cycloadditions
• Authors of publication: Collado, Alba; Esteruelas, Miguel A.; Gulías, Moisés; Mascareñas, José L.; Oñate, Enrique
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 12
• Pages of publication: 4450
• a: 12.0804 ± 0.0007 Å
• b: 14.8396 ± 0.0008 Å
• c: 15.5905 ± 0.0008 Å
• α: 95.5198 ± 0.0006°
• β: 91.0671 ± 0.0007°
• γ: 103.017 ± 0.0007°
• Cell volume: 2708.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No