Information card for entry 7051156

Structure parameters

• Formula: C18 H25 N O3 P2 Se
• Calculated formula: C18 H25 N O3 P2 Se
• SMILES: [Se]=P(C(C)C)(NP(=O)(Oc1ccccc1)Oc1ccccc1)C(C)C
• 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: 18.491 ± 0.004 Å
• b: 23.2 ± 0.005 Å
• c: 9.642 ± 0.002 Å
• α: 90°
• β: 98.59 ± 0.03°
• γ: 90°
• Cell volume: 4089.9 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No