Information card for entry 7039845

Structure parameters

• Formula: C84 H78 Er N17 O
• Calculated formula: C84 H78 Er N17 O
• Title of publication: Coupling molecular spin centers to microwave planar resonators: towards integration of molecular qubits in quantum circuits.
• Authors of publication: Bonizzoni, C.; Ghirri, A.; Bader, K.; van Slageren, J.; Perfetti, M.; Sorace, L.; Lan, Y.; Fuhr, O.; Ruben, M.; Affronte, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 42
• Pages of publication: 16596 - 16603
• a: 25.078 ± 0.005 Å
• b: 25.503 ± 0.005 Å
• c: 11.489 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7348 ± 2 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No