Information card for entry 7051155

Structure parameters

• Formula: C24 H21 N O3 P2 Se
• Calculated formula: C24 H21 N O3 P2 Se
• SMILES: [Se]=P(NP(=O)(Oc1ccccc1)Oc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes
• Authors of publication: Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad
• Journal of publication: New J. Chem.
• Year of publication: 2001
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 1256 - 1263
• a: 9.745 ± 0.002 Å
• b: 18.799 ± 0.004 Å
• c: 12.423 ± 0.002 Å
• α: 90°
• β: 98.21 ± 0.03°
• γ: 90°
• Cell volume: 2252.5 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.112
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No