Information card for entry 1507990

Structure parameters

• Formula: C64 H124 Si4 W Y4
• Calculated formula: C64 H124 Si4 W Y4
• SMILES: [W]12345678([H][Y]9%10%11%12%13%14%15([H][Y]%16%17%18%19%20%21%22([H]9[Y]9%23%24%25%26%27([H][Y]%28%29%30%31([c]%32([c]%28([c]%29([c]%30([c]%31%32C)C)C)C)[Si](C)(C)C)([H]1%10%16%23)([H]%17%24)([H]%18)([H]2)[H]3)([c]2([c]9([c]%25([c]%26([c]%272C)C)C)C)[Si](C)(C)C)[H]%11)[c]1([c]%19([c]%20([c]%21([c]%221C)C)C)C)[Si](C)(C)C)([c]1([c]%14([c]%15([c]%12([c]%131C)C)C)C)[Si](C)(C)C)[H]8)[c]1([c]7([c]6([c]5([c]41C)C)C)C)C.CCCCCC
• 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: 13.2794 ± 0.0006 Å
• b: 30.4306 ± 0.0014 Å
• c: 18.1306 ± 0.0008 Å
• α: 90°
• β: 91.851 ± 0.001°
• γ: 90°
• Cell volume: 7322.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.2235
• Residual factor for significantly intense reflections: 0.1894
• Weighted residual factors for significantly intense reflections: 0.4257
• Weighted residual factors for all reflections included in the refinement: 0.4464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No