Information card for entry 4082334

Structure parameters

• Formula: C24 H20 N2 O2 Si
• Calculated formula: C24 H20 N2 O2 Si
• SMILES: [Si]1(c2c(ccnc2)c2ccncc12)(c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: Synthesis of Group 14 Dipyridinometalloles with Enhanced Electron-Deficient Properties and Solid-State Phosphorescence
• Authors of publication: Ohshita, Joji; Murakami, Kazuya; Tanaka, Daiki; Ooyama, Yousuke; Mizumo, Tomonobu; Kobayashi, Norifumi; Higashimura, Hideyuki; Nakanishi, Takayuki; Hasegawa, Yasuchika
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 517
• a: 12.1171 ± 0.0007 Å
• b: 10.9863 ± 0.0007 Å
• c: 15.686 ± 0.0007 Å
• α: 90°
• β: 99.8537 ± 0.0016°
• γ: 90°
• Cell volume: 2057.3 ± 0.2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No