Information card for entry 7003969

Structure parameters

• Common name: (IndMe)2ScNTMS
• Formula: C26 H36 N Sc Si2
• Calculated formula: C26 H36 N Sc Si2
• SMILES: [Sc]12345678(N([Si](C)(C)C)[Si](C)(C)C)([c]9([cH]2[c]23[c]4(cccc2)[cH]91)C)[c]1(C)[cH]6[c]27[c]8(cccc2)[cH]51
• Title of publication: Generation of cationic indenyl silylamide gadolinium and scandium complexes [(Ind)Ln{N(SiMe3)2}]+[B(C6F5)4]− and their reactivity for 1,3-butadiene polymerization
• Authors of publication: Tardif, Olivier; Kaita, Shojiro
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2531 - 2533
• a: 10.9022 ± 0.0017 Å
• b: 15.712 ± 0.002 Å
• c: 14.57 ± 0.002 Å
• α: 90°
• β: 90.884 ± 0.003°
• γ: 90°
• Cell volume: 2495.5 ± 0.6 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No