Information card for entry 2203375

Structure parameters

• Common name: 10,10-Bis(trimethylsilylethynyl)-9-methylene-fluorene– tetracyano-para-quinodimethane (2/1)
• Chemical name: 9-[bis(trimethylsilylethynyl)methylene]fluorene–tetracyano-para-quinodimethane (2/1)
• Formula: C60 H56 N4 Si4
• Calculated formula: C60 H56 N4 Si4
• SMILES: c1cccc2c1C(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)c1ccccc21.N#CC(=C1C=CC(=C(C#N)C#N)C=C1)C#N.c1cccc2c1C(=C(C#C[Si](C)(C)C)C#C[Si](C)(C)C)c1ccccc21
• Title of publication: 10,10-Bis(trimethylsilylethynyl)-9-methylenefluorene–tetracyano-<i>para</i>-quinodimethane (2/1)
• Authors of publication: Jones, Peter G.; Berger, Harald; Bubenitschek, Peter; Hopf, Henning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o492 - o493
• a: 11.933 ± 0.002 Å
• b: 18.398 ± 0.004 Å
• c: 12.509 ± 0.003 Å
• α: 90°
• β: 90.85 ± 0.03°
• γ: 90°
• Cell volume: 2746 ± 1 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 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: 0.0626
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes