Information card for entry 1573148

Structure parameters

• Formula: C36 H24 B Cl Co F10 Fe N15 O5
• Calculated formula: C36 H24 B Cl Co F10 Fe N15 O5
• 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
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 130 - 138
• a: 14.586 ± 0.003 Å
• b: 21.94 ± 0.004 Å
• c: 14.537 ± 0.003 Å
• α: 90°
• β: 107.634 ± 0.005°
• γ: 90°
• Cell volume: 4433.5 ± 1.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 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: 0.0851
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1386
• Weighted residual factors for all reflections included in the refinement: 0.1547
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No