Information card for entry 7705049

Structure parameters

• Formula: C52 H44 B F15 N2 O
• Calculated formula: C52 H44 B F15 N2 O
• 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: 10.2374 ± 0.0002 Å
• b: 11.4752 ± 0.0002 Å
• c: 20.0948 ± 0.0004 Å
• α: 88.932 ± 0.002°
• β: 85.317 ± 0.002°
• γ: 81.974 ± 0.002°
• Cell volume: 2329.67 ± 0.08 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: 0.0518
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No