Information card for entry 7025426

Structure parameters

• Common name: complex2
• Formula: C37 H70 Cl3 Li N8 Si4 Th
• Calculated formula: C37 H70 Cl3 Li N8 Si4 Th
• SMILES: [Th]123(Cl)([Cl][Li]4([Cl]1)[N](CC[N]4(C)C)(C)C)([N]([Si](C)(C)C)=C(N2[Si](C)(C)C)c1[nH+]cccc1)[N]([Si](C)(C)C)=C(N3[Si](C)(C)C)c1cccc[nH+]1.Cc1ccccc1
• Title of publication: Thorium 2-pyridylamidinates: synthesis, structure and catalytic activity towards the cyclo-oligomerization of epsilon-caprolactone.
• Authors of publication: Rabinovich, Elena; Aharonovich, Sinai; Botoshansky, Mark; Eisen, Moris S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6667 - 6676
• a: 20.333 ± 0.004 Å
• b: 11.771 ± 0.002 Å
• c: 21.97 ± 0.004 Å
• α: 90°
• β: 99.38 ± 0.03°
• γ: 90°
• Cell volume: 5188 ± 1.7 ų
• Cell temperature: 240 ± 1 K
• Ambient diffraction temperature: 240 ± 1 K
• Number of distinct elements: 7
• 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: 0.1417
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1638
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No