Information card for entry 4303109

Structure parameters

• Formula: C27 H26 N3 O3 Rh
• Calculated formula: C27 H26 N3 O3 Rh
• SMILES: [C@@H]1(COC2Cc3ccc4CC5=[N]([C@H](CO5)Cc5ccccc5)[Rh](C#[O])([N]1=2)n34)Cc1ccccc1
• 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: 8.4471 ± 0.0005 Å
• b: 12.167 ± 0.0007 Å
• c: 22.0014 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2261.2 ± 0.2 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: 0.0508
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No