Information card for entry 7051157

Structure parameters

• Formula: C24 H21 N O2 P2 S Se
• Calculated formula: C24 H21 N O2 P2 S Se
• SMILES: [Se]=P(NP(=S)(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: 23.236 ± 0.005 Å
• b: 9.654 ± 0.002 Å
• c: 22.026 ± 0.004 Å
• α: 90°
• β: 108.97 ± 0.03°
• γ: 90°
• Cell volume: 4672.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No