Information card for entry 4303111

Structure parameters

• Formula: C19 H26 N3 O3 Rh
• Calculated formula: C19 H26 N3 O3 Rh
• SMILES: [C@@H]1(COC2=[N]1[Rh]1([N]3=C(C=C4N1C(=C2)CC4)OC[C@@H]3C(C)C)C#[O])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: 7.9423 ± 0.0009 Å
• b: 12.9449 ± 0.0015 Å
• c: 18.998 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1953.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No