Information card for entry 7709526

Structure parameters

• Formula: C54 H80 Ga N2 Na O6
• Calculated formula: C54 H80 Ga N2 Na O6
• Title of publication: Cycloaddition of isoselenocyanates to sodium and magnesium metallacycles
• Authors of publication: Dodonov, Vladimir Alekseevich; Kushnerova, Olga A.; Rumyantcev, Roman V.; Novikov, Alexander S.; Osmanov, Vladimir K.; Fedushkin, Igor Leonidovich
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.0889 ± 0.0004 Å
• b: 19.0945 ± 0.0006 Å
• c: 21.5669 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5390.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No