Information card for entry 4305413

Structure parameters

• Formula: C108 H132 N6 O30 Rh6
• Calculated formula: C108 H132 N6 O30 Rh6
• SMILES: c1c2cc3c[n]1[Rh]14567([c]8([c]1([c]4([c]5([c]68C)C)C)C)C)OC(=O)c1c[n]4cc(c1)C(=O)O[Rh]15689([c]%10([c]1([c]6([c]8([c]9%10C)C)C)C)C)[n]1cc(cc(c1)C(O7)=O)C(O[Rh]1678(OC3=O)([c]3([c]1([c]6([c]7([c]83C)C)C)C)C)[n]1cc3cc(c1)C(O[Rh]1678([c]9([c]1([c]6([c]7([c]89C)C)C)C)C)(OC2=O)[n]1cc2cc(c1)C(=O)O[Rh]1678([c]9([c]1([c]6([c]7([c]89C)C)C)C)C)([n]1cc(cc(c1)C(O[Rh]16784([c]4([c]1([c]6([c]7([c]84C)C)C)C)C)OC2=O)=O)C(O5)=O)OC3=O)=O)=O.OC.OC.OC.OC.OC.OC
• Title of publication: Coordination Cages of Rhodium and Iridium as Exoreceptors for Alkali Metal Ions
• Authors of publication: Sebastian Mirtschin; Elvira Krasniqi; Rosario Scopelliti; Kay Severin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6375 - 6381
• a: 24.1442 ± 0.0005 Å
• b: 24.1442 ± 0.0005 Å
• c: 18.1743 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9175.2 ± 0.4 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No