Information card for entry 7016038

Structure parameters

• Formula: C18 H48 N6 Sc Si4
• Calculated formula: C18 H48 N6 Sc Si4
• SMILES: C1C[N]2(C)CCN3CC[N]4(C)CC[N]51[Si](C)(C)N([SiH](C)C)[Sc]2345N([SiH](C)C)[SiH](C)C
• Title of publication: Scandium alkyl and amide complexes containing a cyclen-derived (NNNN) macrocyclic ligand: synthesis, structure and ring-opening polymerization activity toward lactide monomers.
• Authors of publication: Buffet, Jean-Charles; Okuda, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 30
• Pages of publication: 7748 - 7754
• a: 8.7601 ± 0.0009 Å
• b: 9.386 ± 0.001 Å
• c: 19.453 ± 0.002 Å
• α: 77.709 ± 0.002°
• β: 80.553 ± 0.002°
• γ: 65.658 ± 0.002°
• Cell volume: 1418.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No