Information card for entry 4074548

Structure parameters

• Formula: C27 H36 N3 P Se
• Calculated formula: C27 H36 N3 P Se
• SMILES: [Se]=P(CNc1cc(cc(c1)C)C)(CNc1cc(cc(c1)C)C)CNc1cc(cc(c1)C)C
• Title of publication: Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes
• Authors of publication: Han, Hua; Johnson, Samuel A.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 23
• Pages of publication: 5594
• a: 8.1088 ± 0.0007 Å
• b: 11.4874 ± 0.001 Å
• c: 28.225 ± 0.003 Å
• α: 90°
• β: 94.317 ± 0.002°
• γ: 90°
• Cell volume: 2621.7 ± 0.4 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 K
• Number of distinct elements: 5
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No