Information card for entry 1559158

Structure parameters

• Formula: C12 H12 Fe N10 O Pd
• Calculated formula: C12 H12 Fe N10 O 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: 21.454 ± 0.003 Å
• b: 7.1986 ± 0.0008 Å
• c: 14.7221 ± 0.0016 Å
• α: 90°
• β: 131.494 ± 0.003°
• γ: 90°
• Cell volume: 1703 ± 0.4 ų
• Cell temperature: 180.01 K
• Ambient diffraction temperature: 180.01 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No