Information card for entry 7003967

Structure parameters

• Common name: (IndMe)(PhNMe2)ScNTMS
• Formula: C48 H38 B F20 N2 Sc Si2
• Calculated formula: C48 H38 B F20 N2 Sc Si2
• SMILES: [Sc]1234(N([Si](C)(C)C)[Si](C)(C)C)([N](C)(C)c5ccccc5)[c]5([cH]1[c]14cccc[c]31[cH]25)C.[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: 12.125 ± 0.003 Å
• b: 13.378 ± 0.005 Å
• c: 14.834 ± 0.004 Å
• α: 96.813 ± 0.007°
• β: 92.136 ± 0.004°
• γ: 97.66 ± 0.011°
• Cell volume: 2364.4 ± 1.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No