Information card for entry 1572429

Structure parameters

• Formula: C38 H28 Fe2 N12 O8 Pd2 S4
• Calculated formula: C38 H28 Fe2 N12 O8 Pd2 S4
• Title of publication: CO₂-actuated spin transition tuning in an interdigitated Hofmann-type coordination polymer.
• Authors of publication: Paul, Abhik; Kosaka, Wataru; Kumar, Bhart; Mondal, Dibya Jyoti; Miyasaka, Hitoshi; Konar, Sanjit
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 38
• Pages of publication: 15610 - 15616
• a: 7.375 ± 0.0007 Å
• b: 21.731 ± 0.002 Å
• c: 14.3104 ± 0.0013 Å
• α: 90°
• β: 90.31 ± 0.003°
• γ: 90°
• Cell volume: 2293.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No