Information card for entry 7114021

Structure parameters

• Formula: C50 H160 Cu5 N42 O30 Ru4
• Calculated formula: C50 H60 Cu5 N42 O30 Ru4
• SMILES: C(#[N][Cu]12([N]CCC[N]1)[N]CCC[N]2)[Ru](C#[N][Cu]12([N]CCC[N]1)([N]#C[Ru](C#[N][Cu]13([N]CCC[N]1)[N]CCC[N]3)(C#N)(C#N)(C#N)=[N]=[Ru](C#[N][Cu]13([N]CCC[N]1)[N]CCC[N]3)(C#N)(C#N)(C#N)C#N)[N]CCC[N]2)(C#N)(C#N)(C#N)=[N]=[Ru](C#[N][Cu]12([N]CCC[N]1)[N]CCC[N]2)(C#N)(C#N)(C#N)C#N.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: 1-D polymer containing the [Ru???N???Ru] ??-nitrido moiety: crystal structure and magnetic properties of {[Cu(en)2]3[Ru2N(CN)10]??ClO4}n (en = 1,2-diaminoethane)Electronic supplementary information (ESI) available: field dependence of magnetisation for cluster 1 and polymer 2. See http://www.rsc.org/suppdata/cc/b2/b205534c/
• Authors of publication: Sun, Xian-Ru; Liang, Jiang-Lin; Che, Chi-Ming; Zhu, Nianyong; Zhang, X. X.; Gao, Song
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 18
• Pages of publication: 2090
• a: 29.462 ± 0.006 Å
• b: 12.66 ± 0.002 Å
• c: 30.697 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11450 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No