Information card for entry 7043756

Structure parameters

• Formula: C102 H146 Si4
• Calculated formula: C102 H146 Si4
• SMILES: c1(ccc(c2ccc(cc2)[Si](=[Si](c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(cc(cc2C(C)C)C(C)C)C(C)C)c2c(cc(cc2C(C)C)C(C)C)C(C)C)cc1)[Si](=[Si](c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(C(C)C)cc(cc1C(C)C)C(C)C
• 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: 37.053 ± 0.005 Å
• b: 18.096 ± 0.002 Å
• c: 15.4097 ± 0.0018 Å
• α: 90°
• β: 111.333 ± 0.007°
• γ: 90°
• Cell volume: 9624 ± 2 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1098
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No