Information card for entry 4507298

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: 11.2854 ± 0.0006 Å
• b: 10.0394 ± 0.0005 Å
• c: 6.3627 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 720.89 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 2
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 2.537 Å
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No