Information card for entry 1558080

Structure parameters

• Formula: C56 H128 Ce N16 P4
• Calculated formula: C56 H128 Ce N16 P4
• SMILES: C1CN(C(C)(C)C)P(=N[Ce](N=P2(N(CCN2C(C)(C)C)C(C)(C)C)N(CC)CC)(N=P2(N(CCN2C(C)(C)C)C(C)(C)C)N(CC)CC)N=P2(N(CCN2C(C)(C)C)C(C)(C)C)N(CC)CC)(N1C(C)(C)C)N(CC)CC
• Title of publication: Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field.
• Authors of publication: Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S.
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 24
• Pages of publication: 6149 - 6159
• a: 13.3726 ± 0.001 Å
• b: 13.3726 ± 0.001 Å
• c: 21.0511 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3764.5 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No