Information card for entry 2013049

Structure parameters

• Common name: HCFC 31
• Chemical name: Chlorofluoromethane
• Formula: C H2 Cl F
• Calculated formula: C H2 Cl F
• SMILES: C(Cl)F
• Title of publication: Neutron powder-profile study of chlorofluoromethane
• Authors of publication: Binbrek, Omar S.; Torrie, Bruce H.; Swainson, Ian P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 11
• Pages of publication: o672 - o674
• a: 6.7676 ± 0.0006 Å
• b: 4.1477 ± 0.0003 Å
• c: 5.0206 ± 0.0005 Å
• α: 90°
• β: 108.205 ± 0.007°
• γ: 90°
• Cell volume: 133.87 ± 0.02 ų
• Cell temperature: 30 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Goodness-of-fit parameter for all reflections: 1.71
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.3279 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No