Information card for entry 4115081

Structure parameters

• Formula: C47 H42 Cl N P2 Ru
• Calculated formula: C48 H44 Cl3 N P2 Ru
• SMILES: [Ru]1234(Cl)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[c]56[c]1([cH]3[c]4(N(C)C)[cH]25)cccc6.ClCCl
• Title of publication: A New Ruthenium Complex with an Electron-Donating Aminoindenyl Ligand for Fast Metal-Mediated Living Radical Polymerizations
• Authors of publication: Masami Kamigaito; Yasuhiro Watanabe; Tsuyoshi Ando; Mitsuo Sawamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9994 - 9995
• a: 10.0011 ± 0.0004 Å
• b: 12.5728 ± 0.0005 Å
• c: 17.8807 ± 0.0008 Å
• α: 88.991 ± 0.001°
• β: 75.315 ± 0.001°
• γ: 70.12 ± 0.001°
• Cell volume: 2039.48 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No