Information card for entry 7237021

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: 8.7376 ± 0.0019 Å
• b: 12.499 ± 0.002 Å
• c: 19.217 ± 0.004 Å
• α: 90°
• β: 93.267 ± 0.008°
• γ: 90°
• Cell volume: 2095.3 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.6 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: 0.1173
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1352
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71076 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No