Information card for entry 2000123

Structure parameters

• Formula: C6 D4 I2
• Calculated formula: C12 D8 I4
• Title of publication: Temperature-Dependent Structural Properties of p-Diiodobenzene: Neutron Diffraction and High-Resolution Solid State 13C NMR Investigations
• Authors of publication: Alcobé, Xavier; Estop, Eugènia; Aliev, Abil E.; Harris, Kenneth D. M.; Rodríguez-Carvajal, Juan; Rius, Jordi
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 1994
• Journal volume: 110
• Journal issue: 1
• Pages of publication: 20 - 27
• a: 17.092 Å
• b: 7.461 Å
• c: 6.154 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 784.779 ų
• Ambient diffraction temperature: 333 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for significantly intense reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.131
• Diffraction radiation probe: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No