Information card for entry 7105411

Structure parameters

• Formula: C27 H24 Fe N6 O5
• Calculated formula: C27 H24 Fe N6 O5
• 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: 20.676 ± 0.004 Å
• b: 10.389 ± 0.002 Å
• c: 12.566 ± 0.003 Å
• α: 90°
• β: 102.9 ± 0.03°
• γ: 90°
• Cell volume: 2631.1 ± 1 ų
• Cell temperature: 290 ± 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: 0.0521
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No