Information card for entry 4087367

Structure parameters

• Formula: C33 H29 Cl2 O2 P Ru
• Calculated formula: C33 H29 Cl2 O2 P Ru
• SMILES: [Ru]12345(Cl)(Cl)([P@](C)(c6ccccc6)c6ccccc6c6ccc(cc6)c6ccccc6)[cH]6[c]5([cH]4[cH]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: 12.904 ± 0.002 Å
• b: 6.7856 ± 0.0008 Å
• c: 17.535 ± 0.003 Å
• α: 90°
• β: 111.428 ± 0.006°
• γ: 90°
• Cell volume: 1429.3 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No