Information card for entry 4087369

Structure parameters

• Formula: C31 H27 Cl2 O3 P Ru
• Calculated formula: C31 H27 Cl2 O3 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P@](OC)(c6ccccc6c6cc7c(cc6)cccc7)c6ccccc6)[cH]6[cH]5[cH]4[c]3([cH]2[cH]16)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: 7.3413 ± 0.0003 Å
• b: 16.4175 ± 0.0006 Å
• c: 22.5377 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2716.37 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0303
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No