Information card for entry 7003966

Structure parameters

• Common name: (IndMe)(THF)3GdNTMS
• Formula: C52 H71 B Gd N O3 Si2
• Calculated formula: C52 H71 B Gd N O3 Si2
• SMILES: [Gd]1234(N([Si](C)(C)C)[Si](C)(C)C)([O]5CCCC5)([O]5CCCC5)([O]5CCCC5)[c]5(C)[cH]2[c]23cccc[c]42[cH]51.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 15.422 ± 0.0014 Å
• b: 23.773 ± 0.002 Å
• c: 27.047 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9916.2 ± 1.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No