Information card for entry 4303110

Structure parameters

• Formula: C28 H24 Cl2 N3 O3 Rh
• Calculated formula: C28 H24 Cl2 N3 O3 Rh
• SMILES: [C@H]12[C@H](Cc3c1cccc3)OC1Cc3ccc4CC5=[N]([C@H]6[C@H](Cc7c6cccc7)O5)[Rh](C#[O])([N]2=1)n34.C(Cl)Cl
• 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: 12.5265 ± 0.0008 Å
• b: 13.0043 ± 0.0008 Å
• c: 16.1916 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2637.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No