Information card for entry 4064677

Structure parameters

• Formula: C42 H28 Ge N2
• Calculated formula: C42 H28 Ge N2
• SMILES: [Ge]1(C#Cc2ncccc2)(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C#Cc1ncccc1
• Title of publication: Synthesis, Characterization, and Crystal Structures of 1,1-Disubstituted-2,3,4,5-tetraphenylgermoles That Exhibit Aggregation-Induced Emission
• Authors of publication: Bandrowsky, Teresa L.; Carroll, James B.; Braddock-Wilking, Janet
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 13
• Pages of publication: 3559
• a: 9.6922 ± 0.0006 Å
• b: 18.3316 ± 0.0013 Å
• c: 18.3392 ± 0.0013 Å
• α: 90°
• β: 102.975 ± 0.003°
• γ: 90°
• Cell volume: 3175.2 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No