Information card for entry 7237022

Structure parameters

• Formula: C18 H16 Br2 Fe N10
• Calculated formula: C18 H16 Br2 Fe N10
• Title of publication: Multiple spin phases in a switchable Fe(ii) complex: polymorphism and symmetry breaking effects
• Authors of publication: Hang, Hao; Fei, Bin; Chen, Xiu Qin; Tong, Ming Liang; Ksenofontov, Vadim; Gural'skiy, Il’ya A.; Bao, Xin
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 13
• Pages of publication: 3352
• a: 8.7407 ± 0.0009 Å
• b: 12.4108 ± 0.0013 Å
• c: 19.0055 ± 0.0019 Å
• α: 90°
• β: 94.212 ± 0.004°
• γ: 90°
• Cell volume: 2056.1 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No