Information card for entry 4081148

Structure parameters

• Formula: C28 H52 Cl2 P2 Ru
• Calculated formula: C28 H52 Cl2 P2 Ru
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456(CC(C[P]1(C(C)C)C(C)C)[P+](CC=C)(C(C)C)C(C)C)Cl)C)C(C)C.[Cl-]
• Title of publication: Organoruthenium Complexes Containing New Phosphorus‒Carbon and Phosphorus‒Carbon‒Sulfur Ligands Generated in the Coordination Sphere by Nucleophilic Addition Reactions
• Authors of publication: Garc\?ía de la Arada, Isaac; D\?íez, Josefina; Gamasa, M. Pilar; Lastra, Elena
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 15
• Pages of publication: 4342
• a: 9.6326 ± 0.0001 Å
• b: 13.4904 ± 0.0001 Å
• c: 23.5098 ± 0.0002 Å
• α: 90°
• β: 101.697 ± 0.001°
• γ: 90°
• Cell volume: 2991.6 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No