Information card for entry 7016037

Structure parameters

• Formula: C30 H76 K2 N10 Si4
• Calculated formula: C30 H76 K2 N10 Si4
• SMILES: [K]12345[N]6(CC[N]1(CC[N]2(CC[N]3(CC6)C)C)C)[Si](C)(C)[N]4([SiH](C)C)[K]1234[N]6(CC[N]1(CC[N]2(CC[N]3(CC6)C)C)C)[Si](C)(C)[N]45[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: 11.828 ± 0.0012 Å
• b: 17.4871 ± 0.0018 Å
• c: 21.696 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4487.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No