Information card for entry 7220547

Structure parameters

• Common name: [FeL5b(azpy)].0,5azpy
• Formula: C33 H30 Fe N8 O4
• Calculated formula: C33 H30 Fe N8 O4
• Title of publication: 1D iron(ii) spin crossover coordination polymers with 3,3′-azopyridine ‒ kinetic trapping effects and spin transition above room temperature
• Authors of publication: Schönfeld, Sophie; Lochenie, Charles; Thoma, Peter; Weber, Birgit
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 29
• Pages of publication: 5389
• a: 17.134 ± 0.002 Å
• b: 16.762 ± 0.002 Å
• c: 21.725 ± 0.004 Å
• α: 90°
• β: 90.206 ± 0.015°
• γ: 90°
• Cell volume: 6239.4 ± 1.6 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No