Information card for entry 1566990

Structure parameters

• Chemical name: Zinc Bis(N,N'-Dimethyl-4-penten-2-amine)
• Formula: C14 H26 N4 Zn
• Calculated formula: C14 H26 N4 Zn
• Title of publication: Chemical Control of Spin-Lattice Relaxation to Create a Room Temperature Molecular Qubit
• Authors of publication: Amdur, Moses J.; Mullin, Kathleen; Waters, Michael; Puggioni, Danilo; Wojnar, Michael; Gu, Mingqiang; Sun, Lei; Oyala, Paul; Rondinelli, James; Freedman, Danna
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 12.064 ± 0.0004 Å
• b: 11.9661 ± 0.0005 Å
• c: 10.878 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1570.34 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No