Information card for entry 4310805

Structure parameters

• Formula: C10 H6 Cl4 O P2
• Calculated formula: C10 H6 Cl4 O P2
• Title of publication: Chlorides, Oxochlorides, and Oxoacids of 1,8-Diphosphanaphthalene: A System with Imposed Close P...P Interaction
• Authors of publication: Petr Kilian; Heather L. Milton; Alexandra M. Z. Slawin; J. Derek Woollins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2252 - 2260
• a: 9.4655 ± 0.0013 Å
• b: 16.035 ± 0.002 Å
• c: 8.8593 ± 0.0013 Å
• α: 90°
• β: 95.151 ± 0.002°
• γ: 90°
• Cell volume: 1339.2 ± 0.3 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No