Information card for entry 1514578

Structure parameters

• Formula: C48 H40 Np P4 Se8
• Calculated formula: C48 H40 Np P4 Se8
• SMILES: [Np]1234([Se]=P([Se]1)(c1ccccc1)c1ccccc1)([Se]=P([Se]2)(c1ccccc1)c1ccccc1)([Se]=P([Se]3)(c1ccccc1)c1ccccc1)[Se]=P([Se]4)(c1ccccc1)c1ccccc1
• Title of publication: Uncovering f-element bonding differences and electronic structure in a series of 1 : 3 and 1 : 4 complexes with a diselenophosphinate ligand
• Authors of publication: Jones, Matthew B.; Gaunt, Andrew J.; Gordon, John C.; Kaltsoyannis, Nikolas; Neu, Mary P.; Scott, Brian L.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 1189
• a: 13.8899 ± 0.0019 Å
• b: 9.9688 ± 0.0014 Å
• c: 18.862 ± 0.003 Å
• α: 90°
• β: 91.609 ± 0.002°
• γ: 90°
• Cell volume: 2610.7 ± 0.7 ų
• Cell temperature: 141 ± 2 K
• Ambient diffraction temperature: 141 ± 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: 0.077
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No