Information card for entry 7236902

Structure parameters

• Formula: C13 H15 N3 O2
• Calculated formula: C13 H15 N3 O2
• 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: 7.3674 ± 0.0002 Å
• b: 13.0178 ± 0.0004 Å
• c: 13.7189 ± 0.0004 Å
• α: 90.9445 ± 0.0014°
• β: 104.498 ± 0.0016°
• γ: 104.209 ± 0.0016°
• Cell volume: 1230.61 ± 0.06 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: 0.0644
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0618
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No