Information card for entry 1563094

Structure parameters

• Formula: C206 H328 Cl12 Cr12.56 Cu F28 N4 Ni2 O68 S2
• Calculated formula: C206 H328 Cl12 Cr12.56 Cu F28 N4 Ni2 O68 S2
• Title of publication: Targeting Molecular Quantum Memory with Embedded Error Correction
• Authors of publication: Lockyer, Selena; Chiesa, Alessandro; Timco, Grigore A.; Bennett, Thomas M.; Vitorica-Yrzebal, Inigo; McInnes, Eric J. L.; Carretta, Stefano; Winpenny, Richard E. P.
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 20.4253 ± 0.0011 Å
• b: 30.2613 ± 0.0012 Å
• c: 23.6931 ± 0.0013 Å
• α: 90°
• β: 90.912 ± 0.005°
• γ: 90°
• Cell volume: 14642.8 ± 1.3 ų
• Cell temperature: 100 ± 0.7 K
• Ambient diffraction temperature: 100 ± 0.7 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1578
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2485
• Weighted residual factors for all reflections included in the refinement: 0.2936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No