Information card for entry 7125652

Structure parameters

• Formula: C192 H312 O21 P12 Ru6 S3
• Calculated formula: C192 H312 O21 P12 Ru6 S3
• Title of publication: Ring size matters: supramolecular isomerism in self-assembled redox-active tetra- and hexaruthenium macrocycles.
• Authors of publication: Fink, Daniel; Orth, Nicole; Linseis, Michael; Ivanović-Burmazović, Ivana; Winter, Rainer F.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 7
• Pages of publication: 1062 - 1065
• a: 23.3486 ± 0.0004 Å
• b: 24.9671 ± 0.0005 Å
• c: 25.2132 ± 0.0005 Å
• α: 63.089 ± 0.001°
• β: 83.896 ± 0.001°
• γ: 71.942 ± 0.001°
• Cell volume: 12450.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 ± 3 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: 0.1399
• Residual factor for significantly intense reflections: 0.0848
• Weighted residual factors for significantly intense reflections: 0.2212
• Weighted residual factors for all reflections included in the refinement: 0.2541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No