Information card for entry 1575913

Structure parameters

• Formula: C18 H15 N3
• Calculated formula: C18 H15 N3
• Title of publication: Break-junction studies on paddle-wheel complexes with four lateral anchor groups: small influence of metal-metal bond order.
• Authors of publication: Mang, André; Beltako, Katawoura; Kadriu, Besa; Linseis, Michael; Pauly, Fabian; Winter, Rainer F.
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 41
• Pages of publication: 24226 - 24240
• a: 10.0004 ± 0.0006 Å
• b: 11.1515 ± 0.0004 Å
• c: 13.0098 ± 0.0007 Å
• α: 90°
• β: 102.287 ± 0.004°
• γ: 90°
• Cell volume: 1417.61 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• 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: 0.0617
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No