Information card for entry 7113625

Structure parameters

• Formula: C10 H6 Cl6 O P2
• Calculated formula: C10 H6 Cl6 O P2
• SMILES: ClP1(Cl)=[O][P](c2cccc3cccc1c23)(Cl)(Cl)(Cl)Cl
• Title of publication: New mode of sterically imposed phosphorus hypercoordination
• Authors of publication: Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 10
• Pages of publication: 1174 - 1175
• a: 6.9585 ± 0.0012 Å
• b: 16.895 ± 0.003 Å
• c: 12.498 ± 0.002 Å
• α: 90°
• β: 90.921 ± 0.003°
• γ: 90°
• Cell volume: 1469.1 ± 0.4 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: 0.0316
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0549
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103651
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No