Information card for entry 7120504

Structure parameters

• Formula: C42 H67 Li N2 O3 Si
• Calculated formula: C42 H67 Li N2 O3 Si
• SMILES: [Si](C)(C#C/C(=N\c1c(cccc1C(C)C)C(C)C)N(c1c(cccc1C(C)C)C(C)C)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(C)C
• Title of publication: A highly luminescent octanuclear gold(i) carbide cluster
• Authors of publication: Feuerstein, Thomas J.; Poß, Marieke; Seifert, Tim P.; Bestgen, Sebastian; Feldmann, Claus; Roesky, Peter W.
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 18.886 ± 0.004 Å
• b: 11.516 ± 0.002 Å
• c: 18.802 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4089.3 ± 1.4 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No