Information card for entry 4089210

Structure parameters

• Formula: C18 H48 N3 Sc Si3
• Calculated formula: C18 H48 N3 Sc Si3
• SMILES: [Sc]123(N(C(C)(C)C)[Si](C)(C)[H]2)(N(C(C)(C)C)[Si](C)(C)[H]1)N(C(C)(C)C)[Si](C)(C)[H]3
• Title of publication: β-SiH-Containing Tris(silazido) Rare-Earth Complexes as Homogeneous and Grafted Single-Site Catalyst Precursors for Hydroamination
• Authors of publication: Eedugurala, Naresh; Wang, Zhuoran; Yan, KaKing; Boteju, Kasuni C.; Chaudhary, Umesh; Kobayashi, Takeshi; Ellern, Arkady; Slowing, Igor I.; Pruski, Marek; Sadow, Aaron D.
• Journal of publication: Organometallics
• Year of publication: 2017
• Journal volume: 36
• Journal issue: 6
• Pages of publication: 1142
• a: 10.4327 ± 0.0004 Å
• b: 10.8271 ± 0.0004 Å
• c: 14.4818 ± 0.0006 Å
• α: 76.053 ± 0.001°
• β: 76.115 ± 0.001°
• γ: 61.89°
• Cell volume: 1384.96 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No