Information card for entry 4089601

Structure parameters

• Formula: C17 H41 N P3 Rh
• Calculated formula: C17 H41 N P3 Rh
• SMILES: [Rh]12([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)C[CH]1=[CH]2/C=N/C(C)(C)C
• Title of publication: Synthesis, Spectroscopy, Structure, and Reactivity of Azapentadienyl-Rhodium-Phosphine and Azapentadienyl-Iridium-Phosphine Complexes1
• Authors of publication: Bleeke, John R.; Anutrasakda, Wipark; Rath, Nigam P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6410
• a: 8.24 ± 0.002 Å
• b: 10.519 ± 0.003 Å
• c: 13.854 ± 0.004 Å
• α: 101.876 ± 0.012°
• β: 91.596 ± 0.011°
• γ: 92.053 ± 0.011°
• Cell volume: 1173.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No