Information card for entry 4122871

Structure parameters

• Formula: C43 H61 Cl4 Li N3 O7 Rh3
• Calculated formula: C42 H57 Cl4 Li N3 O6 Rh3
• SMILES: [Rh]12345(Cl)(n6c([n]7[Rh]89%10%11(Cl)([O]=C%12O[Li](OC(=[O]1)c6c7%12)([OH]C)[OH]C)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)c1c[n]([Rh]6789(Cl)(Cl)[c]%10([c]6([c]7([c]8([c]9%10C)C)C)C)C)ccc1)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Octadecanuclear Macrocycles and Nonanuclear Bowl-Shaped Structures Based on Two Analogous Pyridyl-Substituted Imidazole-4,5-dicarboxylate Ligands.
• Authors of publication: Zhang, Ying-Ying; Shen, Xu-Yu; Weng, Lin-Hong; Jin, Guo-Xin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 44
• Pages of publication: 15521 - 15524
• a: 7.9644 ± 0.0007 Å
• b: 15.4104 ± 0.0014 Å
• c: 21.4544 ± 0.0019 Å
• α: 104.205 ± 0.001°
• β: 97.878 ± 0.001°
• γ: 103.111 ± 0.001°
• Cell volume: 2433.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No