Information card for entry 7109472

Structure parameters

• Chemical name: Bis[2,6-bis(5-methylpyrazol-3-yl)pyridine]iron(II) diperchlorate
• Formula: C26 H26 Cl2 Fe N10 O8
• Calculated formula: C26 H26 Cl2 Fe N10 O8
• Title of publication: Isostructural Salts of the Same Complex Showing Contrasting Thermal Spin-Crossover Mediated by Multiple Phase Changes
• Authors of publication: Thomas D. Roberts; Marc A. Little; Floriana Tuna; Colin A. Kilner; Malcolm A. Halcrow
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6280
• a: 9.7396 ± 0.0003 Å
• b: 9.7396 ± 0.0003 Å
• c: 18.008 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1708.24 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.3195
• Weighted residual factors for all reflections included in the refinement: 0.3483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.532
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No