Information card for entry 7237019

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: 8.8257 ± 0.0008 Å
• b: 13.4735 ± 0.0012 Å
• c: 17.207 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2046.1 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No