Information card for entry 7236900

Structure parameters

• Formula: C12 H15 N3 O
• Calculated formula: C12 H15 N3 O
• Title of publication: Spin-dimer networks: engineering tools to adjust the magnetic interactions in biradicals
• Authors of publication: Borozdina, Yulia B.; Mostovich, Evgeny A.; Cong, Pham Thanh; Postulka, Lars; Wolf, Bernd; Lang, Michael; Baumgarten, Martin
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2017
• Journal volume: 5
• Journal issue: 35
• Pages of publication: 9053
• a: 6.3011 ± 0.0002 Å
• b: 10.4759 ± 0.0005 Å
• c: 17.1953 ± 0.0007 Å
• α: 90°
• β: 98.045 ± 0.002°
• γ: 90°
• Cell volume: 1123.89 ± 0.08 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• 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: 0.0963
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections: 0.1944
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No