Information card for entry 7127928

Structure parameters

• Formula: C29 H41 In N4
• Calculated formula: C29 H41 In N4
• SMILES: [In]1N(c2c([N]1=C1N(C(C)C)C(=C(N1C(C)C)C)C)cccc2)c1c(cccc1C(C)C)C(C)C
• Title of publication: "Give me five" - an amino imidazoline-2-imine ligand stabilises the first neutral five-membered cyclic triel(I) carbenoides.
• Authors of publication: Denker, Lars; Trzaskowski, Bartosz; Frank, René
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 22
• Pages of publication: 2816 - 2819
• a: 17.06791 ± 0.00019 Å
• b: 9.46993 ± 0.00003 Å
• c: 28.679 ± 0.0003 Å
• α: 90°
• β: 142.49 ± 0.002°
• γ: 90°
• Cell volume: 2822.52 ± 0.14 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No