Information card for entry 7709528

Structure parameters

• Formula: C104 H160 Ga2 N4 Na2 O16 Se2
• Calculated formula: C104 H160 Ga2 N4 Na2 O16 Se2
• 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: 12.7954 ± 0.0007 Å
• b: 29.6704 ± 0.0015 Å
• c: 15.7466 ± 0.0008 Å
• α: 90°
• β: 113.349 ± 0.0017°
• γ: 90°
• Cell volume: 5488.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No