Information card for entry 4087366

Structure parameters

• Formula: C33 H29 Cl2 O3 P Ru
• Calculated formula: C33 H29 Cl2 O3 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P@@](OC)(c6ccccc6)c6c(cccc6)c6ccc(c7ccccc7)cc6)[cH]6[cH]1[cH]2[cH]3[c]4([cH]56)C(=O)OC
• Title of publication: Mild Photochemical Tethering of [RuCl2(η6-arene)P*] Complexes with P-Stereogenic 2-Biphenylylphosphines
• Authors of publication: Navarro, Miquel; Vidal, Diego; Clavero, Pau; Grabulosa, Arnald; Muller, Guillermo
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 5
• Pages of publication: 973
• a: 10.8413 ± 0.0004 Å
• b: 13.9779 ± 0.0004 Å
• c: 19.6142 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2972.31 ± 0.18 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0941
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1371
• 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