Information card for entry 7025427

Structure parameters

• Common name: complex3
• Formula: C36 H66 Cl N9 Si6 Th
• Calculated formula: C36 H66 Cl N9 Si6 Th
• SMILES: C1(c2ccccn2)=[N]([Th]23(N1[Si](C)(C)C)([N](=C(c1ccccn1)N2[Si](C)(C)C)[Si](C)(C)C)([N](=C(c1ccccn1)N3[Si](C)(C)C)[Si](C)(C)C)Cl)[Si](C)(C)C
• 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: 15.407 ± 0.003 Å
• b: 15.407 ± 0.003 Å
• c: 21.16 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4349.9 ± 1.5 ų
• Cell temperature: 240 ± 1 K
• Ambient diffraction temperature: 240 ± 1 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No