Information card for entry 4507300

Structure parameters

• Formula: C2 Cl6
• Calculated formula: C2 Cl6
• SMILES: C(Cl)(Cl)(Cl)C(Cl)(Cl)Cl
• Title of publication: Polymorphism in Halogen-Ethane Derivatives: CCl3‒CCl3and ClF2C‒CF2Cl
• Authors of publication: Negrier, Philippe; Tamarit, Josep Ll.; Barrio, María; Mondieig, Denise
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 2
• Pages of publication: 782
• a: 17.9835 ± 0.0021 Å
• b: 10.3642 ± 0.0011 Å
• c: 6.3014 ± 0.0008 Å
• α: 90°
• β: 94.41 ± 0.005°
• γ: 90°
• Cell volume: 1171 ± 0.2 ų
• Cell temperature: 323 K
• Ambient diffraction temperature: 323 K
• Number of distinct elements: 2
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No