Information card for entry 7717558

Structure parameters

• Formula: C36 H28 B F4 Fe N6 O4
• Calculated formula: C36 H28 B F4 Fe N6 O4
• Title of publication: Two-step spin transition around room temperature in a Fe^III complex.
• Authors of publication: Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 1231 - 1238
• a: 9.7833 ± 0.0015 Å
• b: 11.9474 ± 0.0018 Å
• c: 15.724 ± 0.002 Å
• α: 109.494 ± 0.004°
• β: 105.229 ± 0.004°
• γ: 92.47 ± 0.004°
• Cell volume: 1654.3 ± 0.4 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 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: 0.0838
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No