Information card for entry 4102952

Structure parameters

• Formula: C40 H40 B Cl4 F4 O11 Ru2
• Calculated formula: C40 H20 B Cl4 F4 O11 Ru2
• SMILES: [Ru]1234([Ru]([O]=C(O1)c1c(Cl)cccc1)(OC(=[O]2)c1c(Cl)cccc1)([O]=C(O3)c1c(Cl)cccc1)(OC(=[O]4)c1c(Cl)cccc1)[O]1CCCC1)[O]1CCCC1.[B](F)(F)(F)[F-].O1CCCC1
• Title of publication: Reversible Magnetism between an Antiferromagnet and a Ferromagnet Related to Solvation/Desolvation in a Robust Layered [Ru2]2TCNQ Charge-Transfer System
• Authors of publication: Natsuko Motokawa; Satoshi Matsunaga; Shinya Takaishi; Hitoshi Miyasaka; Masahiro Yamashita; Kim R. Dunbar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11943 - 11951
• a: 14.8115 ± 0.0019 Å
• b: 15.9646 ± 0.0019 Å
• c: 18.929 ± 0.002 Å
• α: 90°
• β: 106.665 ± 0.0016°
• γ: 90°
• Cell volume: 4288 ± 0.9 ų
• Cell temperature: 93.1 K
• Ambient diffraction temperature: 93.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No