Information card for entry 7236903

Structure parameters

• Formula: C13 H15 N3 O
• Calculated formula: C13 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: 7.042 ± 0.0003 Å
• b: 12.9582 ± 0.0009 Å
• c: 14.2234 ± 0.0009 Å
• α: 94.407 ± 0.003°
• β: 103.761 ± 0.003°
• γ: 102.863 ± 0.003°
• Cell volume: 1217.42 ± 0.13 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9779
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No