Information card for entry 7003968

Structure parameters

• Common name: (IndMe)(THF)2ScNTMS
• Formula: C48 H43 B F20 N O2 Sc Si2
• Calculated formula: C48 H43 B F20 N O2 Sc Si2
• SMILES: [Sc]1234(N([Si](C)(C)C)[Si](C)(C)C)([O]5CCCC5)([O]5CCCC5)[c]5(C)[cH]2[c]23[c]4(cccc2)[cH]51.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• 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: 15.206 ± 0.003 Å
• b: 19.41 ± 0.003 Å
• c: 16.909 ± 0.003 Å
• α: 90°
• β: 91.299 ± 0.002°
• γ: 90°
• Cell volume: 4989.4 ± 1.5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No