Information card for entry 4072600

Structure parameters

• Formula: C28 H42 N P Ru
• Calculated formula: C28 H42 N P Ru
• SMILES: [Ru]123456([P](c7c([c]86[c]1([cH]2[cH]3[cH]4[cH]58)N(C)C)cccc7)(C1CCCCC1)C1CCCCC1)(C)C
• Title of publication: Stereoselectivity in a Chiral Ruthenium Ethylene Hydride Complex: Evidence of an Agostic Intermediate
• Authors of publication: Faller, J. W.; Fontaine, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 7
• Pages of publication: 1738
• a: 9.9085 ± 0.0002 Å
• b: 10.7654 ± 0.0002 Å
• c: 24.037 ± 0.0005 Å
• α: 90°
• β: 96.192 ± 0.002°
• γ: 90°
• Cell volume: 2549.04 ± 0.09 ų
• Cell temperature: 173.2 K
• Ambient diffraction temperature: 173.2 K
• Number of distinct elements: 5
• 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: 0.069
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for all reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections: 1.802
• Goodness-of-fit parameter for all reflections included in the refinement: 2.02
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No