Information card for entry 7043760

Structure parameters

• Formula: C63 H85.5 Si2
• Calculated formula: C63 H85.5 Si2
• Title of publication: (Oligo)aromatic species with one or two conjugated Si[double bond, length as m-dash]Si bonds: near-IR emission of anthracenyl-bridged tetrasiladiene.
• Authors of publication: Obeid, Naim M.; Klemmer, Lukas; Maus, Daniel; Zimmer, Michael; Jeck, Jonathan; Bejan, Iulia; White, Andrew J. P.; Huch, Volker; Jung, Gregor; Scheschkewitz, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• a: 14.5999 ± 0.0009 Å
• b: 19.1502 ± 0.0011 Å
• c: 20.8629 ± 0.0013 Å
• α: 95.878 ± 0.003°
• β: 101.103 ± 0.003°
• γ: 96.251 ± 0.003°
• Cell volume: 5644.2 ± 0.6 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2892
• Residual factor for significantly intense reflections: 0.2122
• Weighted residual factors for significantly intense reflections: 0.2552
• Weighted residual factors for all reflections included in the refinement: 0.2733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.606
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No