Information card for entry 7709923

Structure parameters

• Formula: C64 H148 K N16 Nd O2 P4
• Calculated formula: C64 H148 K N16 Nd O2 P4
• SMILES: [Nd]1([N]2=P3(N(CC)CC)N(CC[N]3(C(C)(C)C)[K]2([N]1=P1(N(CCN1C(C)(C)C)C(C)(C)C)N(CC)CC)[O](CC)CC)C(C)(C)C)(N=P1(N(C(C)(C)C)CCN1C(C)(C)C)N(CC)CC)N=P1(N(C(C)(C)C)CCN1C(C)(C)C)N(CC)CC.O(CC)CC
• Title of publication: Spectroscopic and Electrochemical Characterization of a Pr4+ Imidophosphorane Complex and the Redox Chemistry of Nd3+ and Dy3+ Complexes
• Authors of publication: Rice, Natalie T.; Popov, Ivan A.; Carlson, Rebbeca; Greer, Samuel M.; Boggiano, Andrew C.; Stein, Benjamin William; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry Storms
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.798 ± 0.003 Å
• b: 13.807 ± 0.003 Å
• c: 24.382 ± 0.004 Å
• α: 96.467 ± 0.007°
• β: 104.784 ± 0.007°
• γ: 110.524 ± 0.007°
• Cell volume: 4100 ± 1.5 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No