Information card for entry 4064242

Structure parameters

• Formula: C66 H129 O Si5 Y5
• Calculated formula: C66 H129 O Si5 Y5
• SMILES: [Y]123456789([H]%10[Y]%11%12%13%14%15([H][Y]%16%17%18%19%20([H][Y]%21%22%23%24%25([H][Y]%26%10%27%28%29([c]%10([c]%26([c]%27([c]%28([c]%29%10C)C)C)C)[Si](C)(C)C)([H]%15)([H]1%25)[H]2)([c]1([c]%22([c]%23([c]%24([c]%211C)C)C)C)[Si](C)(C)C)[H]3%20)([c]1([Si](C)(C)C)[c]%16([c]%17([c]%18([c]%191C)C)C)C)[H]8)([c]1([Si](C)(C)C)[c]%11([c]%12([c]%13([c]%141C)C)C)C)[H]9)[c]1([Si](C)(C)C)[c]4([c]5([c]6([c]71C)C)C)C.O(C(C)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: 22.478 ± 0.004 Å
• b: 17.705 ± 0.003 Å
• c: 41.032 ± 0.006 Å
• α: 90°
• β: 104.887 ± 0.003°
• γ: 90°
• Cell volume: 15782 ± 5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2338
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.582
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No