Information card for entry 7220546

Structure parameters

• Common name: [FeL5i(azpy)]
• Formula: C28 H26 Fe N6 O6
• Calculated formula: C28 H26 Fe N6 O6
• 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: 10.651 ± 0.001 Å
• b: 10.802 ± 0.001 Å
• c: 12.528 ± 0.001 Å
• α: 97.671 ± 0.004°
• β: 92.238 ± 0.004°
• γ: 110.803 ± 0.003°
• Cell volume: 1329.5 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No