Information card for entry 4305087

Structure parameters

• Formula: C18 H28 Cl2 Fe N20 O10
• Calculated formula: C18 H28 Cl2 Fe N20 O10
• Title of publication: A New Family of Spin-Crossover Complexes Based on a FeII(Tetrazolyl)4(MeCN)2- Type Core
• Authors of publication: Agata Białońska; Robert Bronisz; Marek Weselski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4436 - 4438
• a: 8.801 ± 0.002 Å
• b: 9.904 ± 0.003 Å
• c: 11.257 ± 0.004 Å
• α: 68.91 ± 0.03°
• β: 85.37 ± 0.02°
• γ: 64.12 ± 0.03°
• Cell volume: 820.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No