Information card for entry 7234331

Structure parameters

• Formula: C18 H14.5 Fe N14 O1.25
• Calculated formula: C18 H14.5 Fe N14 O1.25
• Title of publication: Multi-modal sensing in spin crossover compounds
• Authors of publication: Denis Gentili; Nicola Demitri; Bernhard Schafer; Fabiola Liscio; Ilaria Bergenti; Giampiero Ruani; Mario Ruben; Massimiliano Cavallini
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 7836 - 7844
• a: 23.709 ± 0.001 Å
• b: 14.472 ± 0.002 Å
• c: 15.326 ± 0.049 Å
• α: 90°
• β: 127.617 ± 0.014°
• γ: 90°
• Cell volume: 4165 ± 13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0956
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No