Information card for entry 4327571

Structure parameters

• Chemical name: 1,1,3,3-tetraphenyl-1,3-diphospha-2-(2-pyridyl)-4-keto-5- carboxymethylcyclopentadiene
• Formula: C34 H27 N O3 P2
• Calculated formula: C34 H27 N O3 P2
• SMILES: P1(c2ccccc2)(c2ccccc2)=C(c2ccccn2)P(c2ccccc2)(c2ccccc2)=C(C1=O)CC(=O)O
• Title of publication: Synthetic and Structural Studies of the Coordination Behavior of 2-Pyridylbis(diphenylphosphino)methane
• Authors of publication: Joel T. Mague; Jamin L. Krinsky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1962 - 1971
• a: 9.197 ± 0.0006 Å
• b: 16.752 ± 0.0015 Å
• c: 9.36 ± 0.0007 Å
• α: 90°
• β: 103.806 ± 0.005°
• γ: 90°
• Cell volume: 1400.42 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0767
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No