Information card for entry 2208170

Structure parameters

• Chemical name: tris(trimethylsilylmethyl)(1,4,7-trimethyl-1,4,7-triazacyclononane)yttrium(III)
• Formula: C21 H54 N3 Si3 Y
• Calculated formula: C21 H54 N3 Si3 Y
• SMILES: [Y]12([N]3(C)CC[N]1(C)CC[N]2(C)CC3)(C[Si](C)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: An octahedrally coordinated trialkylyttrium(III): tris(trimethylsilylmethyl)(1,4,7-trimethyl-1,4,7-triazacyclononane)yttrium(III)
• Authors of publication: Bambirra, Sergio; Meetsma, Auke; Hessen, Bart
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: m314 - m316
• a: 16.164 ± 0.001 Å
• b: 30.672 ± 0.002 Å
• c: 18.29 ± 0.001 Å
• α: 90°
• β: 90.03 ± 0.001°
• γ: 90°
• Cell volume: 9067.9 ± 1 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.1389
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No