Information card for entry 4064245

Structure parameters

• Formula: C52 H92 O4 Y4
• Calculated formula: C52 H92 O4 Y4
• SMILES: [cH]12[c]3([c]4([c]5([c]1(C)[Y]16782345([H][Y]23459%10%11([cH]%12[c]2([c]3([c]4([c]5%12C)C)C)C)([H][Y]2345%12%13([cH]%14[c]2([c]3([c]4([c]5%14C)C)C)C)([H][Y]2345([H]1)([cH]1[c]2([c]3([c]4([c]51C)C)C)C)([H]6%11)([H]9%12)([H]7%13)[O]1CCCC1)([H]8%10)[O]1CCCC1)[O]1CCCC1)[O]1CCCC1)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: 12.371 ± 0.002 Å
• b: 15.336 ± 0.003 Å
• c: 16.871 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3200.8 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 23
• Hermann-Mauguin space group symbol: I 2 2 2
• Hall space group symbol: I 2 2
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No