Information card for entry 7122608

Structure parameters

• Formula: C38 H22 N10 O0.84 Si
• Calculated formula: C38 H22 N10 O0.84 Si
• Title of publication: Si(bzimpy)₂ - a hexacoordinate silicon pincer complex for electron transport and electroluminescence.
• Authors of publication: Kocherga, Margaret; Castaneda, Jose; Walter, Michael G.; Zhang, Yong; Saleh, Nemah-Allah; Wang, Le; Jones, Daniel S.; Merkert, Jon; Donovan-Merkert, Bernadette; Li, Yanzeng; Hofmann, Tino; Schmedake, Thomas A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 100
• Pages of publication: 14073 - 14076
• a: 9.7375 ± 0.001 Å
• b: 9.7375 ± 0.001 Å
• c: 15.684 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1487.1 ± 0.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 118
• Hermann-Mauguin space group symbol: P -4 n 2
• Hall space group symbol: P -4 -2n
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0783
• Weighted residual factors for significantly intense reflections: 0.1626
• Weighted residual factors for all reflections included in the refinement: 0.1665
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No