Information card for entry 1516260

Structure parameters

• Formula: C37 H52 Li2 O2 Si2 Sn
• Calculated formula: C37 H52 Li2 O2 Si2 Sn
• SMILES: [Sn]123[C]45([C]67([C]89([C]1([Si](C)(C)C)([Li]2468[O]1CCCC1)[Li]3579[O]1CCCC1)c1ccccc1)c1ccccc1)[Si](C)(C)C.c1(ccccc1)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: 8.4097 ± 0.0016 Å
• b: 13.856 ± 0.002 Å
• c: 32.621 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3801.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No