Information card for entry 4319057

Structure parameters

• Formula: C18 H16 Fe N6 S4
• Calculated formula: C18 H16 Fe N6 S4
• Title of publication: Mass Effect on the Equienergetic High-Spin/Low-Spin States of Spin-Crossover in 4,4'-Bipyridine-Bridged Iron(II) Polymeric Compounds: Synthesis, Structure, and Magnetic, Mössbauer, and Theoretical Studies
• Authors of publication: Nicolás Moliner; M. Carmen Muñoz; Sylvie Létard; Lionel Salmon; Jean-Pierre Tuchagues; Azzedine Bousseksou; José Antonio Real
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6997 - 7005
• a: 38.962 ± 0.008 Å
• b: 11.545 ± 0.002 Å
• c: 30.889 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13894 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1291
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No