Information card for entry 4127826

Structure parameters

• Formula: C64 H129 K N16 O P4 Tb
• Calculated formula: C64 H129 K N16 O P4 Tb
• SMILES: [Tb]12([N](=P(N3CCCCC3)(N3CCCCC3)N3CCCCC3)[K]([O](CC)CC)([N]1=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1)[N]2=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1)N=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1
• Title of publication: Design, Isolation, and Spectroscopic Analysis of a Tetravalent Terbium Complex.
• Authors of publication: Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Bacsa, John; Batista, Enrique R.; Yang, Ping; Telser, Joshua; La Pierre, Henry S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 33
• Pages of publication: 13222 - 13233
• a: 24.279 ± 0.005 Å
• b: 14.385 ± 0.003 Å
• c: 23.002 ± 0.005 Å
• α: 90°
• β: 108.768 ± 0.007°
• γ: 90°
• Cell volume: 7606 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0977
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No