Information card for entry 1563092

Structure parameters

• Chemical name: [Cr7NiF8(O2CBu)16](ImCH2NH2(CH2)2C6H5)[Cu(O2C5HF6)2OCCH3]
• Formula: C102 H162.41 Cr8 Cu F20 N3 O36.2
• Calculated formula: C102 H162.378 Cr8 Cu F20 N3 O36.189
• 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: 28.1451 ± 0.0014 Å
• b: 28.482 ± 0.0015 Å
• c: 36.1611 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28988 ± 2 ų
• Cell temperature: 104 ± 7 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2275
• Weighted residual factors for all reflections included in the refinement: 0.2469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No