Information card for entry 7043759

Structure parameters

• Formula: C54 H80 Si2
• Calculated formula: C54 H80 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: 14.5604 ± 0.0003 Å
• b: 18.2609 ± 0.0004 Å
• c: 19.9406 ± 0.0004 Å
• α: 98.333 ± 0.0017°
• β: 102.482 ± 0.0018°
• γ: 91.856 ± 0.0017°
• Cell volume: 5110.8 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0951
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No