Information card for entry 7705045

Structure parameters

• Formula: C65 H75 B F15 Li N2 O5 S
• Calculated formula: C65 H75 B F15 Li N2 O5 S
• 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: 10.7183 ± 0.0001 Å
• b: 26.7113 ± 0.0002 Å
• c: 25.5331 ± 0.0003 Å
• α: 90°
• β: 119.908 ± 0.001°
• γ: 90°
• Cell volume: 6336.61 ± 0.12 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101 ± 2 K
• Number of distinct elements: 8
• 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: 0.0592
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No