Information card for entry 4079179

Structure parameters

• Formula: C70 H54 N4 Si2
• Calculated formula: C70 H54 N4 Si2
• SMILES: c1c(/C(=C\c2ccc(cc2)C#N)[Si](c2ccccc2)(c2ccccc2)[Si](/C(=C/c2ccc(cc2)C#N)c2ccc(cc2)C#N)(c2ccccc2)c2ccccc2)ccc(c1)C#N.Cc1ccccc1.Cc1ccccc1
• Title of publication: Preparation and Properties of Perarylated 3,4-Disila-1,5-hexadienes. A Fluorescent Disilane Accommodated in the Crystal Lattice
• Authors of publication: Tanabe, Makoto; Yumoto, Ryouhei; Osakada, Kohtaro; Sanji, Takanobu; Tanaka, Masato
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6787
• a: 9.504 ± 0.004 Å
• b: 12.433 ± 0.005 Å
• c: 12.806 ± 0.005 Å
• α: 103.954 ± 0.005°
• β: 94.733 ± 0.004°
• γ: 105.892 ± 0.005°
• Cell volume: 1394.4 ± 1 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No