Information card for entry 4304365

Structure parameters

• Formula: C14 H8 Au2 Br2 Fe N6
• Calculated formula: C14 H8 Au2 Br2 Fe N6
• Title of publication: Spin-Crossover Behavior in Cyanide-bridged Iron(II)-Gold(I) Bimetallic 2D Hofmann-like 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: 2008
• Journal volume: 47
• Pages of publication: 2552 - 2561
• a: 9.395 ± 0.0005 Å
• b: 15.572 ± 0.0009 Å
• c: 14.11 ± 0.0009 Å
• α: 90°
• β: 105.323 ± 0.003°
• γ: 90°
• Cell volume: 1990.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1614
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1946
• Weighted residual factors for all reflections included in the refinement: 0.2511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No