Information card for entry 4305411

Structure parameters

• Formula: C108 H132 Ir6 N6 O30
• Calculated formula: C108 H132 Ir6 N6 O30
• 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: 24.0983 ± 0.0003 Å
• b: 24.0983 ± 0.0003 Å
• c: 18.1977 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 9152.1 ± 0.2 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: 0.0371
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No