Information card for entry 4342238

Structure parameters

• Formula: C40 H44 O10 Ru2
• Calculated formula: C40 H44 O10 Ru2
• SMILES: C1(c2cc(ccc2)C)=[O][Ru]234([O]=C(c5cc(ccc5)C)O[Ru]4(O1)([O]=C(c1cc(C)ccc1)O2)([O]=C(O3)c1cccc(C)c1)[O]1CCCC1)[O]1CCCC1
• Title of publication: Fully Electron-Transferred Donor/Acceptor Layered Frameworks with TCNQ(2-).
• Authors of publication: Kosaka, Wataru; Morita, Takaumi; Yokoyama, Taiga; Zhang, Jun; Miyasaka, Hitoshi
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1518 - 1527
• a: 8.8854 ± 0.0011 Å
• b: 19.858 ± 0.003 Å
• c: 11.106 ± 0.002 Å
• α: 90°
• β: 102.438 ± 0.008°
• γ: 90°
• Cell volume: 1913.6 ± 0.5 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No