Information card for entry 4076084

Structure parameters

• Formula: C43 H58 Li N2 O P Ru Si2
• Calculated formula: C43 H58 Li N2 O P Ru Si2
• SMILES: [Ru]123456([P]7(C[Si]([N]1(c1ccccc1)[Li]([O]1CCCC1)[N]2([Si](C7)(C)C)c1ccccc1)(C)C)c1ccccc1)[CH]1=[CH]3C4C[CH]5=[CH]6CC1.c1(ccccc1)C
• Title of publication: Intramolecular C−H and N−H Transfer by Ruthenium(II) Amidophosphine Complexes
• Authors of publication: Fryzuk, Michael D.; Petrella, Michael J.; Patrick, Brian O.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 22
• Pages of publication: 5440
• a: 9.0674 ± 0.0003 Å
• b: 19.9274 ± 0.0005 Å
• c: 23.055 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4165.8 ± 0.3 ų
• Cell temperature: 198.2 K
• Ambient diffraction temperature: 198.2 K
• Number of distinct elements: 8
• 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: 0.0461
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections: 0.944
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No