Information card for entry 7026949

Structure parameters

• Formula: C73 H66 B2 Cl2 F6 N6 O7 P2 S2
• Calculated formula: C73 H66 B2 Cl2 F6 N6 O7 P2 S2
• 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: 12.26 ± 0.003 Å
• b: 14.962 ± 0.003 Å
• c: 19.811 ± 0.004 Å
• α: 88.78 ± 0.03°
• β: 77.03 ± 0.03°
• γ: 83.08 ± 0.03°
• Cell volume: 3515.4 ± 1.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No