Information card for entry 4134942

Structure parameters

• Formula: C58 H146 Gd2 K N7 O7 Si10
• Calculated formula: C58 H146 Gd2 K N7 O7 Si10
• SMILES: [Gd]1(N([Si](C)(C)C)[Si](C)(C)C)([N]2[Gd]([N]([Si](C)(C)C)[Si](C)(C)C)([N]([Si](C)(C)C)[Si](C)(C)C)([O]3CCCC3)[N]1=2)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Formation of the End-on Bound Lanthanide Dinitrogen Complexes, [(R2N)3Ln-N=N-Ln(NR2)3]2-, from Divalent [(R2N)3Ln]1- Salts (R = SiMe3).
• Authors of publication: Ryan, Austin J.; Balasubramani, Sreeganesh; Ziller, Joseph W.; Furche, Filipp; Evans, William J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 12.6104 ± 0.0011 Å
• b: 20.7558 ± 0.0017 Å
• c: 16.9683 ± 0.0014 Å
• α: 90°
• β: 93.7131 ± 0.0011°
• γ: 90°
• Cell volume: 4431.9 ± 0.6 ų
• Cell temperature: 88 ± 2 K
• Ambient diffraction temperature: 88 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No