Information card for entry 9007643

Structure parameters

• Formula: C O2
• Calculated formula: C O2
• SMILES: O=C=O
• Title of publication: Single-crystal refinement of the structure of carbon dioxide Sample: T = 150 K
• Authors of publication: Simon, A.; Peters, K.
• Journal of publication: Acta Crystallographica, Section B
• Year of publication: 1980
• Journal volume: 36
• Pages of publication: 2750 - 2751
• a: 5.624 Å
• b: 5.624 Å
• c: 5.624 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 177.884 ų
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 2
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No