Information card for entry 7705050

Structure parameters

• Formula: C39 H59 Li N2 O3 S
• Calculated formula: C39 H59 Li N2 O3 S
• SMILES: S=C1N(c2c(cccc2C(C)C)C(C)C)C=C(N1c1c(cccc1C(C)C)C(C)C)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Chalcogen complexes of anionic N-heterocyclic carbenes.
• Authors of publication: Ho, Luong Phong; Körner, Lukas; Bannenberg, Thomas; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 38
• Pages of publication: 13207 - 13217
• a: 10.3854 ± 0.0002 Å
• b: 10.9362 ± 0.0002 Å
• c: 18.6719 ± 0.0004 Å
• α: 73.147 ± 0.002°
• β: 78.248 ± 0.002°
• γ: 69.152 ± 0.002°
• Cell volume: 1884.72 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No