Information card for entry 4064239

Structure parameters

• Common name: (C5Me4SiMe3)Y(CH2C6H4NMe2)2
• Formula: C30 H45 N2 Si Y
• Calculated formula: C30 H45 N2 Si Y
• SMILES: [Y]123456([N](c7ccccc7C1)(C)C)([N](c1c(C3)cccc1)(C)C)[c]1([c]5([c]6([c]2([c]41C)C)C)C)[Si](C)(C)C
• Title of publication: Tetra-, Penta-, and Hexanuclear Yttrium Hydride Clusters from Half-Sandwich Bis(aminobenzyl) Complexes Containing Various Cyclopentadienyl Ligands
• Authors of publication: Shima, Takanori; Nishiura, Masayoshi; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2513
• a: 10.5186 ± 0.0009 Å
• b: 10.5728 ± 0.0009 Å
• c: 13.7075 ± 0.0011 Å
• α: 91.798 ± 0.002°
• β: 95.221 ± 0.001°
• γ: 105.42 ± 0.001°
• Cell volume: 1461 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.037
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No