Information card for entry 4305954

Structure parameters

• Chemical name: trans-[Fe(abpt)2(N(CN)2)2] (abpt=4-Amino-3,5-bis(pyridin-2-yl)-1,2,4-triazole)
• Formula: C28 H20 Fe N18
• Calculated formula: C28 H20 Fe N18
• Title of publication: Magnetostructural Relationship in the Spin-Crossover Complex t-{Fe(abpt)2[N(CN)2]2}: Polymorphism and Disorder Phenomenon
• Authors of publication: Chou-Fu Sheu; Sébastien Pillet; Yen-Chen Lin; Szu-Miao Chen; I-Jui Hsu; Claude Lecomte; Yu Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10866 - 10874
• a: 9.5993 ± 0.0016 Å
• b: 9.9887 ± 0.0015 Å
• c: 16.106 ± 0.002 Å
• α: 97.724 ± 0.013°
• β: 102.27 ± 0.014°
• γ: 92.256 ± 0.013°
• Cell volume: 1491.7 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1894
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No