Information card for entry 7709727

Structure parameters

• Formula: C74 H78 B2 Cl4 Fe4 N28 O3 P2 Se2
• Calculated formula: C74 H78 B2 Cl4 Fe4 N28 O3 P2 Se2
• Title of publication: Manipulating the spin crossover behaviour in a series of cyanide-bridged {FeIII2FeII2} molecular squares through NCE- co-ligands
• Authors of publication: You, Maolin; Nguyen, Giang Truong; Shao, Dong; Wang, Te; Chang, Xiaoyong; Ungur, Liviu; Zhang, Yuan-Zhu
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 28.952 ± 0.013 Å
• b: 47.23 ± 0.02 Å
• c: 13.137 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17964 ± 15 ų
• Cell temperature: 99.99 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 9
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1312
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.21
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No