Information card for entry 7714745

Structure parameters

• Formula: C7.62 H4 N0.25 O Zn0.25
• Calculated formula: C7.625 H4 N0.25 O Zn0.25
• Title of publication: Radical qubits photo-generated in acene-based metal-organic frameworks.
• Authors of publication: Orihashi, Kana; Yamauchi, Akio; Inoue, Miku; Parmar, Bhavesh; Fujiwara, Saiya; Kimizuka, Nobuo; Asada, Mizue; Nakamura, Toshikazu; Yanai, Nobuhiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 872 - 876
• a: 11.0072 ± 0.0008 Å
• b: 15.9706 ± 0.0008 Å
• c: 18.2207 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3203 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 47
• Hermann-Mauguin space group symbol: P m m m
• Hall space group symbol: -P 2 2
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.246
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No