Information card for entry 4085835

Structure parameters

• Formula: C36 H66 Ga Li O2 Si2
• Calculated formula: C36 H66 Ga Li O2 Si2
• SMILES: C1([Ga](C(=[CH]2C3[CH]=1[Li]123[O](C)CC[O]1C)[Si](C(C)C)(C(C)C)C(C)C)c1c(cc(cc1C)C)C)[Si](C(C)C)(C(C)C)C(C)C
• Title of publication: An Isolable Anionic Gallabenzene: Synthesis and Characterization
• Authors of publication: Nakamura, Taichi; Suzuki, Katsunori; Yamashita, Makoto
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1806
• a: 8.7398 ± 0.0016 Å
• b: 29.69 ± 0.005 Å
• c: 15.217 ± 0.003 Å
• α: 90°
• β: 101.07 ± 0.004°
• γ: 90°
• Cell volume: 3875.1 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0888
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No