Information card for entry 7020997

Structure parameters

• Formula: C54 H44 Cu N12 O8 Ru2
• Calculated formula: C54 H44 Cu N12 O8 Ru2
• SMILES: C(#[N][Cu]123(N4CCCN2CCN1CCCN3CC4)[N]#C[Ru]12(C#N)([n]3cccc4c3c(ccc4)O1)[n]1cccc3c1c(O2)ccc3)[Ru]12(C#N)([n]3cccc4c3c(ccc4)O1)[n]1c3c(ccc1)cccc3O2.OC.OC.OC.OC
• Title of publication: The synthesis, structures and magnetic properties of polynuclear Ru(III)-3d (3d = Mn(II/III), Ni(II), Cu(II)) compounds based on [Ru(III)(Q)(2)(CN)(2)](-).
• Authors of publication: Xiang, Jing; Jia, Li-Hui; Wang, Bing-Wu; Yiu, Shek-Man; Peng, Shie-Ming; Wong, Wai-Yeung; Gao, Song; Lau, Tai-Chu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 11
• Pages of publication: 3876 - 3887
• a: 8.9277 ± 0.0012 Å
• b: 20.948 ± 0.003 Å
• c: 15.023 ± 0.002 Å
• α: 90°
• β: 104.175 ± 0.002°
• γ: 90°
• Cell volume: 2724 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.1046
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1868
• Weighted residual factors for all reflections included in the refinement: 0.2074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No