Information card for entry 4303112

Structure parameters

• Formula: C21 H30 N3 O3 Rh
• Calculated formula: C21 H30 N3 O3 Rh
• SMILES: [C@@H]1(COC2C=C3N4C(=CC5=[N]([C@H](CO5)C(C)(C)C)[Rh]4([N]1=2)C#[O])CC3)C(C)(C)C
• Title of publication: Bis(oxazolinylmethyl)pyrrole Derivatives and Their Coordination as Chiral "Pincer" Ligands to Rhodium
• Authors of publication: Felix Konrad; Julio Lloret Fillol; Hubert Wadepohl; Lutz H. Gade
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8523 - 8535
• a: 6.9492 ± 0.0008 Å
• b: 11.7795 ± 0.0013 Å
• c: 25.417 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2080.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No