Information card for entry 7132497

Structure parameters

• Formula: C51 H65 B2 Cl Cu N5
• Calculated formula: C51 H65 B2 Cl Cu N5
• SMILES: [B]12([BH]([Cu]1(Cl)[n]1c2cccc1)=C1N(CCN1c1c(cccc1CC)CC)c1c(cccc1CC)CC)=C1N(CCN1c1c(cccc1CC)CC)c1c(cccc1CC)CC
• 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: 13.704 ± 0.0001 Å
• b: 13.7578 ± 0.0001 Å
• c: 24.4253 ± 0.0002 Å
• α: 90°
• β: 101.318 ± 0.001°
• γ: 90°
• Cell volume: 4515.52 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0885
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No