Information card for entry 4074592

Structure parameters

• Chemical name: 1,4-disilabenzene dianion
• Formula: C38 H78 Li2 O2 Si4
• Calculated formula: C38 H78 Li2 O2 Si4
• SMILES: [Si]123([C]4(=[C]5([Si]6([Li]245[O]2CCCC2)([C]2(=[C]1(CC)[Li]362[O]1CCCC1)CC)[Si](C)(C(C)(C)C)C(C)(C)C)CC)CC)[Si](C)(C(C)(C)C)C(C)(C)C
• Title of publication: Dilithium 1,4-Disilacyclohexa-2,5-diene-1,4-diide by the Reduction of 1,4-Disilabicyclo[2.2.0]hexa-2,5-diene: Synthesis and Characterization
• Authors of publication: Nakata, Norio; Oikawa, Toru; Matsumoto, Takeshi; Kabe, Yoshio; Sekiguchi, Akira
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5850
• a: 10.809 ± 0.0002 Å
• b: 18.543 ± 0.0007 Å
• c: 22.735 ± 0.0008 Å
• α: 90°
• β: 97.814 ± 0.0002°
• γ: 90°
• Cell volume: 4514.5 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No