Information card for entry 4064243

Structure parameters

• Formula: C58 H90 N2 Y4
• Calculated formula: C58 H90 N2 Y4
• SMILES: C[N]1(C)c2c([CH2]3[Y]456789%101([H]1[Y]%12%13%14%153([H]4)([H][Y]34%16%17%18%19%201([CH2](c1ccccc1[N]%16(C)C)[Y]1%16%21%22([H]%103)([H]4)([H]5)[c]3([c]%21([c]%22([c]%16([c]13C)C)C)C)C)[c]1([c]%17([c]%18([c]%19([c]%201C)C)C)C)C)[c]1([c]%12([c]%13([c]%15([c]%141C)C)C)C)C)[c]1([c]9([c]8([c]7([c]61C)C)C)C)C)cccc2
• 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: 11.319 ± 0.003 Å
• b: 20.477 ± 0.005 Å
• c: 11.759 ± 0.003 Å
• α: 90°
• β: 98.145 ± 0.004°
• γ: 90°
• Cell volume: 2698 ± 1.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No