Information card for entry 7707089

Structure parameters

• Chemical name: 1,3,7-triaza-5-phosphabicyclo[3.3.1]nonane-3,7-diylbis(phenylmethanone)
• Formula: C38 H42 N6 O5 P2
• Calculated formula: C38 H42 N6 O5 P2
• Title of publication: A new amido-phosphane as ligand for copper and silver complexes. Synthesis, characterization and catalytic application for azide-alkyne cycloaddition in glycerol.
• Authors of publication: Mahmoud, Abdallah G.; Guedes da Silva, M Fátima C; Pombeiro, Armando J. L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 18
• Pages of publication: 6109 - 6125
• a: 9.5691 ± 0.0005 Å
• b: 21.4898 ± 0.0012 Å
• c: 10.0298 ± 0.0005 Å
• α: 90°
• β: 116.955 ± 0.002°
• γ: 90°
• Cell volume: 1838.44 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1528
• Residual factor for significantly intense reflections: 0.1226
• Weighted residual factors for significantly intense reflections: 0.3516
• Weighted residual factors for all reflections included in the refinement: 0.3842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No