Information card for entry 4507301

Structure parameters

• Formula: C2 Cl2 F4
• Calculated formula: C2.02 Cl2.08 F4.04
• 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: 6.305 ± 0.004 Å
• b: 10.177 ± 0.012 Å
• c: 8.714 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 559.1 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 2.398 Å
• Diffraction radiation type: Neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No