Information card for entry 7705043

Structure parameters

• Formula: C90 H70 B2 F30 N4 Se2
• Calculated formula: C90 H70 B2 F30 N4 Se2
• 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: 11.08186 ± 0.00004 Å
• b: 13.56275 ± 0.00005 Å
• c: 15.675 ± 0.00004 Å
• α: 101.749 ± 0.0002°
• β: 108.106 ± 0.0003°
• γ: 95.1486 ± 0.0003°
• Cell volume: 2162.54 ± 0.013 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: 0.0355
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No