Information card for entry 4073512

Structure parameters

• Common name: 4
• Formula: C25 H36 N O Rh
• Calculated formula: C25 H36 N O Rh
• SMILES: [Rh]1234([N](=C(C=C(O1)C)C)c1c(cccc1C(C)C)C(C)C)[CH]1CC[CH]2=[CH]3CC[CH]4=1
• Title of publication: Synthesis and Properties of a Rhodium Complex Having a Novel β-Ketophosphenato Ligand, a Heavier Congener of a β-Ketoiminato Ligand#
• Authors of publication: Sasamori, Takahiro; Matsumoto, Teruyuki; Takeda, Nobuhiro; Tokitoh, Norihiro
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 15
• Pages of publication: 3621
• a: 8.8811 ± 0.0002 Å
• b: 8.8115 ± 0.0002 Å
• c: 15.1061 ± 0.0003 Å
• α: 90.6294 ± 0.0009°
• β: 101.888 ± 0.001°
• γ: 107.159 ± 0.002°
• Cell volume: 1102.04 ± 0.04 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 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: 0.0252
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No