Information card for entry 1507991

Structure parameters

• Formula: C64 H118 Si4 W Y4
• Calculated formula: C64 H118 Si4 W Y4
• SMILES: [Y]1234567([H][Y]89%10%11%12%13%14([c]%15([Si](C)(C)C)[c]8([c]9([c]%10([c]%11%15C)C)C)C)[H]85[Y]59%10%11%15([c]%16([Si](C)(C)C)[c]5([c]9([c]%10([c]%11%16C)C)C)C)([H]%12)([H][Y]59%10%118([c]8([Si](C)(C)C)[c]5([c]9([c]%10([c]%118C)C)C)C)([H]%13)([H]6)[H]%14%15)[H]7[WH5]5678[c]9([c]5([c]6([c]7([c]89C)C)C)C)C)[c]5([c]4([c]3([c]2([c]15C)C)C)C)[Si](C)(C)C.c1ccccc1
• 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: 13.7848 ± 0.0009 Å
• b: 20.179 ± 0.0013 Å
• c: 27.0183 ± 0.0016 Å
• α: 90°
• β: 91.457 ± 0.001°
• γ: 90°
• Cell volume: 7513.1 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No