Information card for entry 4085837

Structure parameters

• Formula: C28 H51 Cl Ga N Si2
• Calculated formula: C28 H51 Cl Ga N Si2
• SMILES: C1(=CCC=C([Ga]1(Cl)[n]1ccccc1)[Si](C(C)C)(C(C)C)C(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: 14.1431 ± 0.0016 Å
• b: 13.6702 ± 0.0014 Å
• c: 17.1961 ± 0.0019 Å
• α: 90°
• β: 112.42 ± 0.0013°
• γ: 90°
• Cell volume: 3073.4 ± 0.6 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: 0.0436
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No