Information card for entry 1573143

Structure parameters

• Formula: C38 H32 B Cl Co F10 Fe N15 O7
• Calculated formula: C38 H32 B Cl Co F10 Fe N15 O7
• Title of publication: Spin State Modulation and Kinetic Control of Thermal Contraction in a [Fe2Co2] Discrete Prussian Blue Analogue
• Authors of publication: Yadav, Jyoti; Konar, Sanjit
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 14.938 ± 0.011 Å
• b: 20.83 ± 0.016 Å
• c: 15.45 ± 0.012 Å
• α: 90°
• β: 103.72 ± 0.02°
• γ: 90°
• Cell volume: 4670 ± 6 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2343
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.2135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No