Information card for entry 1559165

Structure parameters

• Formula: C12.5 H12 Fe N10 O0.5 Pd
• Calculated formula: C12.5 H12 Fe N10 O0.25 Pd
• Title of publication: Reversible guest-induced gate-opening with multiplex spin crossover responses in two-dimensional Hofmann Clathrates
• Authors of publication: Turo-Cortés, Rubén; Bartual-Murgui, Carlos; Castells-Gil, Javier; Muñoz, Carmen; Martí-Gastaldo, Carlos; Real Cabezos, José Antonio A
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 15.0184 ± 0.0012 Å
• b: 32.5156 ± 0.0018 Å
• c: 7.3514 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3589.9 ± 0.4 ų
• Cell temperature: 260 ± 0.2 K
• Ambient diffraction temperature: 260 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.1491
• Residual factor for significantly intense reflections: 0.0816
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No