Information card for entry 2100840

Structure parameters

• Formula: C2 H2
• Calculated formula: C2 H2
• SMILES: C#C
• Title of publication: Structures of cubic and orthorhombic phases of acetylene by single-crystal neutron diffraction
• Authors of publication: McMullan, R. K.; Kvick, Å.; Popelier, P.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 726 - 731
• a: 6.094 ± 0.0008 Å
• b: 6.094 ± 0.0008 Å
• c: 6.094 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 226.31 ± 0.05 ų
• Number of distinct elements: 2
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.0402 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No