Information card for entry 4064240

Structure parameters

• Common name: (C5Me5)Y(CH2C6H4NMe2)2
• Formula: C28 H39 N2 Y
• Calculated formula: C28 H39 N2 Y
• SMILES: [Y]123456([N](c7c(C1)cccc7)(C)C)([N](c1ccccc1C4)(C)C)[c]1([c]6([c]2([c]3([c]51C)C)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: 17.721 ± 0.004 Å
• b: 9.126 ± 0.002 Å
• c: 18.273 ± 0.005 Å
• α: 90°
• β: 118.803 ± 0.004°
• γ: 90°
• Cell volume: 2589.5 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1116
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0638
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No