Information card for entry 7227276

Structure parameters

• Formula: C25 H44 N3 Sc Si2
• Calculated formula: C25 H44 N3 Sc Si2
• SMILES: [Sc]123456(N([Si](C)(C)C)[Si](C)(C)C)N([C@H]7[C@H]([N]1(C)C)CCCC7)CC[c]15[c]52[c]3([cH]4[cH]61)cccc5
• Title of publication: Half-Sandwich Chiral Rare-Earth Metal Complexes with Linked Tridentate Amido-Indenyl Ligand: Synthesis, Characterization, and Catalytic Properties for Intramolecular Hydroamination
• Authors of publication: Chai, Zhuo; Chu, Jiang; Qi, Yunyi; Tang, Mujun; Hou, Jinsong; Yang, Gaosheng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.9897 ± 0.0009 Å
• b: 10.1575 ± 0.001 Å
• c: 15.3828 ± 0.0015 Å
• α: 90°
• β: 97.86 ± 0.001°
• γ: 90°
• Cell volume: 1391.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No