Information card for entry 1515132

Structure parameters

• Formula: C122 H120 Cl8 N4 O28 Ru4
• Calculated formula: C122 H120 Cl8 N4 O28 Ru4
• Title of publication: A solvent-responsive coordination cage
• Authors of publication: Kilbas, Benan; Mirtschin, Sebastian; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 3
• Pages of publication: 701
• a: 12.0083 ± 0.0018 Å
• b: 15.379 ± 0.004 Å
• c: 20.885 ± 0.003 Å
• α: 85.969 ± 0.016°
• β: 78.367 ± 0.01°
• γ: 87.615 ± 0.016°
• Cell volume: 3766.9 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.1965
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No