Information card for entry 7131235

Structure parameters

• Formula: C36 H53 B N2 O2
• Calculated formula: C36 H53 B N2 O2
• SMILES: O1C(C(OB1C=C1N(C(=C(N1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)(C)C)(C)C
• Title of publication: An indium(I) tetramer bound by anionic N-heterocyclic olefins: ambiphilic reactivity, transmetallation and a rare indium-imide.
• Authors of publication: Baird, Samuel R.; Hupf, Emanuel; Watson, Ian C.; Ferguson, Michael J.; Rivard, Eric
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 20
• Pages of publication: 2903 - 2906
• a: 13.2848 ± 0.0003 Å
• b: 15.2957 ± 0.0003 Å
• c: 16.2903 ± 0.0004 Å
• α: 90°
• β: 91.8769 ± 0.0013°
• γ: 90°
• Cell volume: 3308.42 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0549
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No