Information card for entry 7707511

Structure parameters

• Formula: C28 H18 Fe N8 Pt
• Calculated formula: C28 H18 Fe N8 Pt
• Title of publication: Spin crossover metal-organic frameworks with inserted photoactive guests: on the quest to control the spin state by photoisomerization.
• Authors of publication: Brachňaková, Barbora; Moncoľ, Ján; Pavlik, Ján; Šalitroš, Ivan; Bonhommeau, Sébastien; Valverde-Muñoz, Francisco Javier; Salmon, Lionel; Molnár, Gábor; Routaboul, Lucie; Bousseksou, Azzedine
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 25
• Pages of publication: 8877 - 8888
• a: 6.9483 ± 0.0003 Å
• b: 7.5509 ± 0.0003 Å
• c: 13.0859 ± 0.0005 Å
• α: 77.715 ± 0.003°
• β: 82.604 ± 0.003°
• γ: 88.873 ± 0.003°
• Cell volume: 665.24 ± 0.05 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.194
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No