Information card for entry 4073704

Structure parameters

• Formula: C32 H52 N P2 Rh
• Calculated formula: C32 H52 N P2 Rh
• SMILES: [Rh]123([CH2]=[CH]1C(C)(C)C)[P](c1c(ccc(c1)C)N3c1c(cc(cc1)C)[P]2(C(C)C)C(C)C)(C(C)C)C(C)C
• Title of publication: Thioether, Dinitrogen, and Olefin Complexes of (PNP)Rh: Kinetics and Thermodynamics of Exchange and Oxidative Addition Reactions
• Authors of publication: Gatard, Sylvain; Guo, Chengyun; Foxman, Bruce M.; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 25
• Pages of publication: 6066
• a: 9.688 ± 0.008 Å
• b: 9.94 ± 0.003 Å
• c: 19.119 ± 0.005 Å
• α: 85.05 ± 0.02°
• β: 81.31 ± 0.04°
• γ: 62.22 ± 0.04°
• Cell volume: 1610 ± 1.6 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0724
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No