Information card for entry 4085836

Structure parameters

• Formula: C44 H86 Ga Li O6 Si2
• Calculated formula: C44 H86 Ga Li O6 Si2
• SMILES: C1(=CC=CC(=[Ga]1c1c(cc(cc1C)C)C)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• 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: 13 ± 0.002 Å
• b: 28.938 ± 0.005 Å
• c: 13.964 ± 0.002 Å
• α: 90°
• β: 108.411 ± 0.002°
• γ: 90°
• Cell volume: 4984.3 ± 1.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0825
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No