Information card for entry 4068492

Structure parameters

• Formula: C48 H24 Cl4 Ga4
• Calculated formula: C48 H24 Cl4 Ga4
• SMILES: c12c3c(ccc1)c1c3c([Ga]34[Cl][Ga]52c2cccc6c2c2c6cccc2[Ga]2([Cl]5)c5c6c7c(cccc7c6ccc5)[Ga](c5c6c(ccc5)c5c6c3ccc5)([Cl]4)[Cl]2)ccc1
• Title of publication: Synthesis and Reactivity of a Tetragallium Macrocycle
• Authors of publication: Kilyanek, Stefan M.; Fang, Xiangdong; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 300
• a: 15.793 ± 0.003 Å
• b: 22.495 ± 0.005 Å
• c: 16.567 ± 0.004 Å
• α: 90°
• β: 107.125 ± 0.004°
• γ: 90°
• Cell volume: 5625 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.121
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No