Information card for entry 4301895

Structure parameters

• Formula: C24 H16 Cl4 Cu2 Fe N8
• Calculated formula: C24 H16 Cl4 Cu2 Fe N8
• Title of publication: Spin-Crossover Behavior in Cyanide-Bridged Iron(II)-Copper(I) Bimetallic 1-3D Metal-Organic Frameworks
• Authors of publication: Gloria Agustí; M. Carmen Muñoz; Ana B. Gaspar; José A. Real
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 3371 - 3381
• a: 17.374 ± 0.0005 Å
• b: 8.738 ± 0.0002 Å
• c: 23.579 ± 0.0006 Å
• α: 90°
• β: 126.243 ± 0.002°
• γ: 90°
• Cell volume: 2887.03 ± 0.15 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1099
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1652
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No