Information card for entry 7047968

Structure parameters

• Formula: C24 H18 Cl2 Fe N10 O12
• Calculated formula: C24 H18 Cl2 Fe N10 O12
• Title of publication: Spin-crossover compounds based on iron(ii) complexes of 2,6-bis(pyrazol-1-yl)pyridine (bpp) functionalized with carboxylic acid and ethyl carboxylic acid.
• Authors of publication: García-López, Víctor; Palacios-Corella, Mario; Abhervé, Alexandre; Pellicer-Carreño, Isaac; Desplanches, Cédric; Clemente-León, Miguel; Coronado, Eugenio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 47
• Pages of publication: 16958 - 16968
• a: 17.574 ± 0.003 Å
• b: 16.554 ± 0.002 Å
• c: 10.8254 ± 0.0015 Å
• α: 90°
• β: 104.686 ± 0.015°
• γ: 90°
• Cell volume: 3046.4 ± 0.8 ų
• Cell temperature: 400 ± 0.1 K
• Ambient diffraction temperature: 400 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1481
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2628
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No