Information card for entry 1518798

Structure parameters

• Common name: diruthenium tetra-acetate cobalt phthalocyanine dicyanide
• Formula: C42 H28 Co N10 O8 Ru2
• Calculated formula: C42 H28 Co N10 O8 Ru2
• SMILES: [Ru]1234([O]=C(O[Ru]2([O]=C(O1)C)(OC(=[O]3)C)[O]=C(O4)C)C)[N]#C[Co]123([n]4c5N=c6n3c(=Nc3[n]1c(=Nc1n2c(N=c4c2c5cccc2)c2c1cccc2)c1c3cccc1)c1c6cccc1)C#[N][Ru]1234[Ru]([O]=C(O1)C)([N]#C[Co]156([n]7c8N=c9n6c(=Nc6[n]1c(=Nc1n5c(N=c7c5c8cccc5)c5c1cccc5)c1c6cccc1)c1c9cccc1)C#N)(OC(=[O]2)C)([O]=C(O3)C)OC(=[O]4)C
• Title of publication: Linear (1-D) chain structure of [Ru2(O2CMe)4]+[CoIIIPc(CN)2]- determined via synchrotron powder diffraction data
• Authors of publication: Kevin H. Stone; Peter W. Stephens; Megan B. Wainer; Royce A. Davidson; Joel S. Miller
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2015
• Journal volume: 424
• Pages of publication: 116 - 119
• a: 17.3635 ± 0.0005 Å
• b: 17.3635 ± 0.0005 Å
• c: 13.0372 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3930.6 ± 0.2 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :1
• Hall space group symbol: I 4bw -1bw
• Residual factor R(I) for significantly intense reflections: 0.0275
• Goodness-of-fit parameter for all reflections: 2.306
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 0.69994 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes