Information card for entry 4331479

Structure parameters

• Formula: C85 H82 Cl17 Li N3 O14.5 P Rh3
• Calculated formula: C85 H77 Cl17 Li N3 O14.5 P Rh3
• Title of publication: Chiral Recognition and Resolution of the Enantiomers of Supramolecular Triangular Hosts: Synthesis, Circular Dichroism, NMR, and X-ray Molecular Structure of [Li⊂(R,R,R)-{Cp*Rh(5-chloro-2,3-dioxopyridine)}3][Δ-Trisphat]
• Authors of publication: Mimassi, Lamia; Guyard-Duhayon, Carine; Rager, Marie Noelle; Amouri, Hani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 6644 - 6649
• a: 18.816 ± 0.004 Å
• b: 22.695 ± 0.006 Å
• c: 23.105 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9867 ± 5 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 8
• 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: 0.146
• Residual factor for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections: 0.1623
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No