Information card for entry 1573145

Structure parameters

• Formula: C38 H29 B Cl Co F10 Fe N15 O7
• Calculated formula: C38 H29 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: 14.867 ± 0.004 Å
• b: 20.702 ± 0.006 Å
• c: 15.437 ± 0.004 Å
• α: 90°
• β: 103.782 ± 0.007°
• γ: 90°
• Cell volume: 4614 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 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: 0.0789
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No