Information card for entry 7026947

Structure parameters

• Formula: C34.5 H27 Br Cl3 N3 P
• Calculated formula: C34.5 H27 Br Cl3 N3 P
• Title of publication: A new approach to internal Lewis pairs featuring a phosphenium acid and a pyridine base.
• Authors of publication: Brazeau, Allison L.; Caputo, Christine A.; Martin, Caleb D.; Jones, Nathan D.; Ragogna, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 45
• Pages of publication: 11069 - 11073
• a: 21.0725 ± 0.0006 Å
• b: 14.0248 ± 0.0004 Å
• c: 22.0431 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6514.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0897
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No