Information card for entry 4310804

Structure parameters

• Formula: C10 H6 Cl4 O2 P2
• Calculated formula: C10 H6 Cl4 O2 P2
• SMILES: ClP(=O)(Cl)c1cccc2cccc(c12)P(=O)(Cl)Cl
• 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: 8.4511 ± 0.0004 Å
• b: 10.6848 ± 0.0004 Å
• c: 8.7458 ± 0.0005 Å
• α: 90°
• β: 118.143 ± 0.002°
• γ: 90°
• Cell volume: 696.36 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1103
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No