Information card for entry 7101884

Structure parameters

• Formula: C37 H48 Cl O P Ru
• Calculated formula: C37 H48 Cl O P Ru
• SMILES: [Ru]1234(Cl)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[c]1(OC)[c]2([c]3([c]45C(C)(C)C)CC(C)(C)C)C(C)(C)C
• Title of publication: A new coupling reaction for the synthesis of ruthenium half-sandwich complexes with sterically demanding cyclopentadienyl ligands.
• Authors of publication: Gauthier, Sébastien; Solari, Euro; Dutta, Barnali; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 18
• Pages of publication: 1837 - 1839
• a: 17.879 ± 0.003 Å
• b: 9.4034 ± 0.0007 Å
• c: 20.216 ± 0.0016 Å
• α: 90°
• β: 92.158 ± 0.008°
• γ: 90°
• Cell volume: 3396.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No