Information card for entry 7107029

Structure parameters

• Common name: X-ray destroyed during data collection. Very weak diffraction and high fragility of samples.
• Formula: C6 H16 Fe N14 O8
• Calculated formula: C6 H16 Fe N14 O8
• Title of publication: The 1-D polymeric structure of the [Fe(NH2trz)3](NO3)2 x nH2O (with n = 2) spin crossover compound proven by single crystal investigations
• Authors of publication: Arnaud Grosjean; Nathalie Daro; Brice Kaufmann; Abdellak Kaiba; Jean-Francois Letard; Philippe Guionneau
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 12382
• a: 7.311 ± 0.002 Å
• b: 10.562 ± 0.003 Å
• c: 11.339 ± 0.003 Å
• α: 103.765 ± 0.014°
• β: 98.1 ± 0.012°
• γ: 95.523 ± 0.013°
• Cell volume: 834.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1269
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2342
• Weighted residual factors for all reflections included in the refinement: 0.261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No