Information card for entry 7200916

Structure parameters

• Formula: C52 H68.9 Cl O20.45 Ru2
• Calculated formula: C52 H68 Cl O20.45 Ru2
• Title of publication: Supramolecular architecture elucidation of the room temperature columnar mesophases exhibited by mixed-valent diruthenium alkoxybenzoates
• Authors of publication: Chaia, Zulema D.; Rusjan, Marcia C.; Castro, Maria Ana; Donnio, Bertrand; Heinrich, Benoit; Guillon, Daniel; Baggio, Ricardo F.; Cukiernik, Fabio D.
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2009
• Journal volume: 19
• Journal issue: 28
• Pages of publication: 4981
• a: 12.7209 ± 0.0017 Å
• b: 14.6283 ± 0.0019 Å
• c: 16.413 ± 0.002 Å
• α: 90.34 ± 0.002°
• β: 90.874 ± 0.003°
• γ: 100.198 ± 0.002°
• Cell volume: 3005.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No