Information card for entry 7132498

Structure parameters

• Formula: C60 H74 Ag B2 Cl N5
• Calculated formula: C60 H74 Ag B2 Cl N5
• Title of publication: Stepwise and selective synthesis of chelating, multimetallic and mixed-metal π-diborene complexes.
• Authors of publication: Duwe, Dario; Saha, Koushik; Endres, Lukas; Brückner, Tobias; Dewhurst, Rian D.; Dietz, Maximilian; Radacki, Krzysztof; Fantuzzi, Felipe; Braunschweig, Holger
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 9
• Pages of publication: 1120 - 1123
• a: 23.8864 ± 0.0001 Å
• b: 12.6825 ± 0.0001 Å
• c: 36.1057 ± 0.0002 Å
• α: 90°
• β: 95.522 ± 0.001°
• γ: 90°
• Cell volume: 10887.1 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 ± 0.11 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No