Information card for entry 4070939

Structure parameters

• Formula: C24 H28 Cl P Ru
• Calculated formula: C24 H28 Cl P Ru
• SMILES: C1C[Ru]23456([c]7(C)[cH]2[cH]3[c]4([cH]5[cH]67)C(C)C)([P]1(c1ccccc1)c1ccccc1)Cl
• Title of publication: Synthesis and Reactivity of Ruthenium Arene Complexes Incorporating Novel Ph2PCH2CH2BR2Ligands. Easy Access to the Four-Membered Ruthenacycle [(p-cymene)RuCl(κC,P-CH2CH2PPh2)]
• Authors of publication: Vergnaud, Jérôme; Grellier, Mary; Bouhadir, Ghenwa; Vendier, Laure; Sabo-Etienne, Sylviane; Bourissou, Didier
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1140
• a: 7.942 ± 0.0004 Å
• b: 11.1756 ± 0.0005 Å
• c: 13.0715 ± 0.0006 Å
• α: 77.024 ± 0.004°
• β: 73.311 ± 0.004°
• γ: 82.677 ± 0.004°
• Cell volume: 1080.47 ± 0.09 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.058
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No