Information card for entry 1515131

Structure parameters

• Formula: C259 H247 Cl69 N8 O56 Ru8
• Calculated formula: C259 H247 Cl69 N8 O56 Ru8
• 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: 16.0499 ± 0.0016 Å
• b: 24.504 ± 0.004 Å
• c: 26.963 ± 0.004 Å
• α: 70.041 ± 0.01°
• β: 77.399 ± 0.012°
• γ: 81.696 ± 0.009°
• Cell volume: 9699 ± 2 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: 0.1571
• Residual factor for significantly intense reflections: 0.1234
• Weighted residual factors for significantly intense reflections: 0.3466
• Weighted residual factors for all reflections included in the refinement: 0.3818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.48
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No