Information card for entry 7251769

Structure parameters

• Formula: C26 H28 B2 Cl2 Fe N10 O12
• Calculated formula: C26 H28 B2 Cl2 Fe N10 O12
• Title of publication: Spin-crossover iron(II) complexes featuring boronic acid and boronic ester groups: synthesis and magnetic properties
• Authors of publication: Zhang, Minghui; Heinemann, Frank; Khusniyarov, Marat M.
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 25.4259 ± 0.0015 Å
• b: 10.095 ± 0.0005 Å
• c: 16.2659 ± 0.0011 Å
• α: 90°
• β: 126.226 ± 0.003°
• γ: 90°
• Cell volume: 3368 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No