Information card for entry 4020235

Structure parameters

• Common name: chloroheptamethylbenzenium GaCl4
• Formula: C13 H20 Cl5 Ga
• Calculated formula: C13 H20 Cl5 Ga
• SMILES: [Ga](Cl)(Cl)(Cl)[Cl-].ClCC1(C(=C([C+](C(=C1C)C)C)C)C)C
• Title of publication: Isolation, X-ray Structures, and Electronic Spectra of Reactive Intermediates in Friedel-Crafts Acylations
• Authors of publication: M.G. Davlieva; S.V. Lindeman; I.S. Neretin; J.K. Kochi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 4013 - 4021
• a: 8.917 ± 0.002 Å
• b: 12.313 ± 0.002 Å
• c: 16.573 ± 0.003 Å
• α: 90°
• β: 98.349 ± 0.004°
• γ: 90°
• Cell volume: 1800.4 ± 0.6 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No