Information card for entry 7716762

Structure parameters

• Formula: C50 H48 Fe N6 O8
• Calculated formula: C50 H36 Fe N6 O2
• Title of publication: Substituent effects on spin-crossover Fe(II)N4O2 pyrenyl hydrazone complexes
• Authors of publication: Wang, Xuan; Zhang, Nan; Kou, Hui-Zhong
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 15.669 ± 0.0006 Å
• b: 15.669 ± 0.0006 Å
• c: 37.8269 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9287.2 ± 0.7 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.127
• Residual factor for significantly intense reflections: 0.0886
• Weighted residual factors for significantly intense reflections: 0.2039
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No