Information card for entry 7717137

Structure parameters

• Formula: C41 H28 Br2 Cl Fe N4 O7
• Calculated formula: C41 H28 Br2 Cl Fe N4 O7
• Title of publication: Spin crossover Fe^III complexes with a substituted Hqnal ligand: effects of anions and solvents.
• Authors of publication: Chen, Feng-Li; Liu, Xin-Li; Zhao, Yue; Li, Gang; Gao, Bo-Hong; Wang, Xin-Yi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 42
• Pages of publication: 17233 - 17243
• a: 11.811 ± 0.002 Å
• b: 12.312 ± 0.002 Å
• c: 13.297 ± 0.002 Å
• α: 106.646 ± 0.008°
• β: 93.56 ± 0.008°
• γ: 101.853 ± 0.008°
• Cell volume: 1797.9 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1543
• Residual factor for significantly intense reflections: 0.105
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.2632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No