Information card for entry 1559160

Structure parameters

• Formula: C12.8 H10 Fe N10 O0.4 Pt
• Calculated formula: C12.8 H10 Fe N10 O0.4 Pt
• 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: 14.8483 ± 0.0015 Å
• b: 7.1717 ± 0.0007 Å
• c: 15.88 ± 0.003 Å
• α: 90°
• β: 92.699 ± 0.011°
• γ: 90°
• Cell volume: 1689.1 ± 0.4 ų
• Cell temperature: 99.5 ± 0.7 K
• Ambient diffraction temperature: 99.5 ± 0.7 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: I 1 2/m 1
• Hall space group symbol: -I 2y
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.1183
• Weighted residual factors for significantly intense reflections: 0.28
• Weighted residual factors for all reflections included in the refinement: 0.2875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.196
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No