Information card for entry 7008003

Structure parameters

• Formula: C4 H2 Cl4 O P2
• Calculated formula: C4 H2 Cl4 O P2
• SMILES: o1c(P(Cl)Cl)ccc1P(Cl)Cl
• Title of publication: Synthesis and auration of primary and di-primary heteroaryl-phosphines.
• Authors of publication: Reiter, Stephan A.; Nogai, Stefan D.; Schmidbaur, Hubert
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 2
• Pages of publication: 247 - 255
• a: 9.0431 ± 0.0002 Å
• b: 9.0431 ± 0.0002 Å
• c: 6.2387 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 510.19 ± 0.02 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No