Information card for entry 1507986

Structure parameters

• Formula: C61 H119 P Si4 W Y4
• Calculated formula: C61 H119 P Si4 W Y4
• SMILES: [Y]1234567([H]8[Y]9%10%11%12%13%14([H][YH]%15%16%17%18%19([H]1)([H][Y]1%20%21%22([H]2)([H]%10)([H]39%15)[c]2([Si](C)(C)C)[c]1([c]%20([c]%21([c]%222C)C)C)C)[c]1([c]%19([c]%16([c]%17([c]%181C)C)C)C)[Si](C)(C)C)([H][WH2]12839([P](C)(C)C)[c]%10([c]1([c]2([c]3([c]9%10C)C)C)C)C)[c]1([Si](C)(C)C)[c]%12([c]%13([c]%14([c]%111C)C)C)C)[c]1([Si](C)(C)C)[c]4([c]5([c]6([c]71C)C)C)C
• Title of publication: Molecular heterometallic hydride clusters composed of rare-earth and d-transition metals.
• Authors of publication: Shima, Takanori; Luo, Yi; Stewart, Timothy; Bau, Robert; McIntyre, Garry J.; Mason, Sax A.; Hou, Zhaomin
• Journal of publication: Nature chemistry
• Year of publication: 2011
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 814 - 820
• a: 14.0625 ± 0.001 Å
• b: 23.1646 ± 0.0017 Å
• c: 24.1202 ± 0.0018 Å
• α: 90°
• β: 92.501 ± 0.001°
• γ: 90°
• Cell volume: 7849.7 ± 1 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 6
• 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: 0.0738
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No