Information card for entry 1516261

Structure parameters

• Formula: C36 H56 Li2 O2 Si2 Sn
• Calculated formula: C36 H56 Li2 O2 Si2 Sn
• SMILES: C[Si]([C]123=[C]45([Li]671([O]1CCCC1)([Sn]12[Li]234[C]56(=[C]712[Si](C(C)(C)C)(C)C)c1ccccc1)[O]1CCCC1)c1ccccc1)(C(C)(C)C)C
• Title of publication: Enhancement of Stannylene Character in Stannole Dianion Equivalents Evidenced by NMR and Mössbauer Spectroscopy and Theoretical Studies of Newly Synthesized Silyl-Substituted Dilithiostannoles
• Authors of publication: Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Minoura, Mao; Herber, Rolfe H.; Saito, Masaichi
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2910
• a: 12.3909 ± 0.0009 Å
• b: 12.4427 ± 0.0009 Å
• c: 13.724 ± 0.001 Å
• α: 83.022 ± 0.002°
• β: 67.354 ± 0.001°
• γ: 75.564 ± 0.002°
• Cell volume: 1890.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No