Information card for entry 4311764

Structure parameters

• Formula: C48 H54 Cl12 N3 O6 Rh3
• Calculated formula: C48 H54 Cl12 N3 O6 Rh3
• SMILES: c12c3cc(c[n]1[Rh]14567(Oc8c(cc(c[n]8[Rh]89%10%11%12(Oc%13c(cc(c[n]%13[Rh]%13%14%15%16(O2)(O3)[c]2([c]%13([c]%14([c]%15([c]%162C)C)C)C)C)Cl)O8)[c]2([c]9([c]%10([c]%11([c]%122C)C)C)C)C)Cl)O1)[c]1([c]4([c]5([c]6([c]71C)C)C)C)C)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: Lamia Mimassi; Carine Guyard-Duhayon; Marie Noelle Rager; Hani Amouri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6644 - 6649
• a: 19.132 ± 0.002 Å
• b: 19.132 ± 0.002 Å
• c: 20.4073 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6469 ± 1.1 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1569
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections: 0.1358
• Weighted residual factors for significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No