Information card for entry 4304558

Structure parameters

• Common name: Cobalt square
• Chemical name: cyclo(bis(dichlorocobalt(II)bis(μ~2~-cyano)(1,1,1-tris(diphenylphosphi nomethyl)ethane)dicobalt(II)) dichloromethane solvate
• Formula: C90 H86 Cl12 Co4 N4 P6
• Calculated formula: C86 H78 Cl4 Co4 N4 P6
• SMILES: C1#[N][Co]([N]#C[Co]23(C#[N][Co]([N]#C[Co]451[P](CC(C[P]4(c1ccccc1)c1ccccc1)(C[P]5(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)(Cl)Cl)[P](CC(C[P]2(c1ccccc1)c1ccccc1)(C[P]3(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1)(Cl)Cl
• Title of publication: A Family of Cyanide-Bridged Molecular Squares: Structural and Magnetic Properties of [{MIICl2}2{CoII(triphos)(CN)2}2].xCH2Cl2, M = Mn, Fe, Co, Ni, Zn
• Authors of publication: Ferdi Karadas; Eric J. Schelter; Michael Shatruk; Andrey V. Prosvirin; John Bacsa; Dmitry Smirnov; Andrew Ozarowski; J. Krzystek; Joshua Telser; Kim R. Dunbar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2074 - 2082
• a: 14.115 ± 0.008 Å
• b: 16.437 ± 0.009 Å
• c: 19.754 ± 0.011 Å
• α: 90°
• β: 90.013 ± 0.008°
• γ: 90°
• Cell volume: 4583 ± 4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.1385
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No