Information card for entry 4341297

Structure parameters

• Common name: [FeL5b(pina)].0.5MeOH
• Formula: C31 H35 Fe N5 O7
• Calculated formula: C31 H35 Fe N5 O7
• Title of publication: Large Thermal Hysteresis for Iron(II) Spin Crossover Complexes with N-(Pyrid-4-yl)isonicotinamide.
• Authors of publication: Lochenie, Charles; Bauer, Wolfgang; Railliet, Antoine P.; Schlamp, Stephan; Garcia, Yann; Weber, Birgit
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 21
• Pages of publication: 11563 - 11572
• a: 13.3304 ± 0.0011 Å
• b: 12.9564 ± 0.0011 Å
• c: 21.5188 ± 0.0015 Å
• α: 90°
• β: 127.769 ± 0.005°
• γ: 90°
• Cell volume: 2937.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 3 K
• Number of distinct elements: 5
• 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: 0.0924
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No