Information card for entry 4072526

Structure parameters

• Formula: C85 H82 Cl17 Li N3 O14.5 P Rh3
• Calculated formula: C85 H77 Cl17 Li N3 O14.5 P Rh3
• SMILES: [Rh]123456([n]7c8[O]9[Rh]%10%11%12%13([n]%14c%15[O]%16[Rh]%17%18%19%20([n]%21c([O]1[Li]9%16)c(O2)cc(Cl)c%21)(Oc%15cc(Cl)c%14)[c]1([c]%18([c]%17([c]%19([c]1%20C)C)C)C)C)(Oc8cc(Cl)c7)[c]1([c]%13([c]%10([c]%11([c]%121C)C)C)C)C)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C.[P]123(Oc4c(O1)c(Cl)c(Cl)c(Cl)c4Cl)(Oc1c(O2)c(Cl)c(Cl)c(Cl)c1Cl)Oc1c(O3)c(Cl)c(Cl)c(Cl)c1Cl.C(Cl)Cl.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.O.O.O
• Title of publication: Chiral Supramolecular Triangular Hosts: Anion Metathesis, Solution Behavior, and High Stability of the Metal Configuration
• Authors of publication: Mimassi, L.; Cordier, C.; Guyard-Duhayon, C.; Mann, B. E.; Amouri, H.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 860
• 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