Information card for entry 4064671

Structure parameters

• Formula: C46 H28 F6 Ge
• Calculated formula: C46 H28 F6 Ge
• SMILES: [Ge]1(C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C#Cc1ccc(cc1)C(F)(F)F)C#Cc1ccc(cc1)C(F)(F)F
• 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: 28.301 ± 0.008 Å
• b: 11.096 ± 0.002 Å
• c: 24.71 ± 0.005 Å
• α: 90°
• β: 94.02 ± 0.03°
• γ: 90°
• Cell volume: 7741 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No