Information card for entry 7105413

Structure parameters

• Formula: C26 H20 Fe N6 O4
• Calculated formula: C26 H20 Fe N6 O4
• SMILES: C1(=N[N]2[Fe]34(O1)([n]1ccccc1C=2)[n]1ccccc1C=[N]3N=C(c1ccc(O)cc1)O4)c1ccc(O)cc1
• Title of publication: Abrupt spin transition around room temperature and light induced properties in FeII complexes with N4O2 coordination sphere
• Authors of publication: Zhang, Li; Xu, Guan-Cheng; Xu, Hong-Bin; Zhang, Teng; Wang, Zhe-Ming; Yuan, Mei; Gao, Song
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 2554
• a: 22.801 ± 0.005 Å
• b: 9.917 ± 0.002 Å
• c: 11.686 ± 0.002 Å
• α: 90°
• β: 106.47 ± 0.03°
• γ: 90°
• Cell volume: 2534 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0761
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No