Information card for entry 1514573

Structure parameters

• Formula: C40 H36 La N2 P3 Se6
• Calculated formula: C40 H36 La N2 P3 Se6
• SMILES: [La]123([Se]=P([Se]1)(c1ccccc1)c1ccccc1)([Se]=P([Se]2)(c1ccccc1)c1ccccc1)([Se]=P([Se]3)(c1ccccc1)c1ccccc1)([N]#CC)[N]#CC
• 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: 13.5653 ± 0.001 Å
• b: 9.0111 ± 0.0007 Å
• c: 35.576 ± 0.003 Å
• α: 90°
• β: 91.945 ± 0.001°
• γ: 90°
• Cell volume: 4346.2 ± 0.6 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 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: 0.0617
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No