Information card for entry 4304556

Structure parameters

• Common name: FK019
• Formula: C90 H86 Cl12 Co2 Mn2 N4 P6
• Calculated formula: C86 H78 Cl4 Co2 Mn2 N4 P6
• 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: 14.079 ± 0.003 Å
• b: 16.444 ± 0.004 Å
• c: 19.995 ± 0.005 Å
• α: 90°
• β: 90.129 ± 0.004°
• γ: 90°
• Cell volume: 4629.1 ± 1.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• 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: 0.1253
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No