Information card for entry 1549481

Structure parameters

• Common name: [Fe(proptrz)2Pd(CN)4].2H2O
• Formula: C26 H20 Fe N12 O2 Pd
• Calculated formula: C26 H16 Fe N12 O2 Pd
• Title of publication: Increasing spin crossover cooperativity in 2D Hofmann-type materials with guest molecule removal.
• Authors of publication: Zenere, Katrina A.; Duyker, Samuel G.; Trzop, Elzbieta; Collet, Eric; Chan, Bun; Doheny, Patrick W.; Kepert, Cameron J.; Neville, Suzanne M.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 25
• Pages of publication: 5623 - 5629
• a: 7.2613 ± 0.0002 Å
• b: 7.6635 ± 0.0003 Å
• c: 13.5746 ± 0.0005 Å
• α: 95.988 ± 0.003°
• β: 98.931 ± 0.003°
• γ: 90.085 ± 0.003°
• Cell volume: 742.04 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No