Information card for entry 4113149

Structure parameters

• Formula: C32 H88 N6 Nd2 O2 Si8
• Calculated formula: C32 H88 N6 Nd2 O2 Si8
• SMILES: C[Si](C)(C)N([Nd]1(N([Si](C)(C)C)[Si](C)(C)C)([O]2CCCC2)[N]2=[N]1[Nd]2(N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)[O]1CCCC1)[Si](C)(C)C
• Title of publication: Expanding Dinitrogen Reduction Chemistry to Trivalent Lanthanides via the LnZ3/Alkali Metal Reduction System: Evaluation of the Generality of Forming Ln2(μ-η2:η2-N2) Complexes via LnZ3/K
• Authors of publication: William J. Evans; David S. Lee; Daniel B. Rego; Jeremy M. Perotti; Stosh A. Kozimor; Ericka K. Moore; Joseph W. Ziller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 14574 - 14582
• a: 10.897 ± 0.0005 Å
• b: 23.5933 ± 0.001 Å
• c: 11.687 ± 0.0005 Å
• α: 90°
• β: 112.687 ± 0.001°
• γ: 90°
• Cell volume: 2772.2 ± 0.2 ų
• Cell temperature: 175 ± 2 K
• Ambient diffraction temperature: 175 ± 2 K
• Number of distinct elements: 6
• 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: 0.0202
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No