Information card for entry 4072960

Structure parameters

• Formula: C41 H30 O2 Si
• Calculated formula: C41 H30 O2 Si
• SMILES: c1(ccccc1)[Si]12(C(=C(C(=[O]1)c1ccccc1)c1ccccc1)C(=C(O2)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: A Stable, Highly Fluorescent Vinylogous β-Diketonate Silicon Complex
• Authors of publication: Liu, Yuxia; Steiner, Stephen A.; Spahn, Cameron W.; Guzei, Ilia A.; Toulokhonova, Irina S.; West, Robert
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1306
• a: 23.5233 ± 0.0015 Å
• b: 11.0132 ± 0.0008 Å
• c: 15.5384 ± 0.0011 Å
• α: 90°
• β: 130.891 ± 0.001°
• γ: 90°
• Cell volume: 3043.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0566
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No