Information card for entry 7705046

Structure parameters

• Formula: C57 H65 B F15 Li N2 O3 Se
• Calculated formula: C57 H65 B F15 Li N2 O3 Se
• 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: 12.667 ± 0.0004 Å
• b: 14.616 ± 0.0004 Å
• c: 16.78 ± 0.0004 Å
• α: 94.15 ± 0.002°
• β: 90.65 ± 0.002°
• γ: 113 ± 0.002°
• Cell volume: 2849.54 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No