Information card for entry 1507989

Structure parameters

• Formula: C64 H124 Si4 W Y4
• Calculated formula: C64 H124 Si4 W Y4
• SMILES: [Y]12345678([c]9([Si](C)(C)C)[c]1([c]2([c]3([c]49C)C)C)C)[H]1[Y]2349%10%11([c]%12([Si](C)(C)C)[c]2([c]3([c]4([c]9%12C)C)C)C)([H]2[Y]349%12%131([c]1([Si](C)(C)C)[c]3([c]4([c]9([c]%121C)C)C)C)([H]%10[Y]1349%10([c]%12([Si](C)(C)C)[c]1([c]3([c]4([c]9%12C)C)C)C)([H]%11)([H]%13)[H][W]13492([c]2([c]1([c]3([c]4([c]92C)C)C)C)C)([H]7)([H]8)[H]%10)[H]5)[H]6.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: 13.5822 ± 0.0007 Å
• b: 30.8031 ± 0.0016 Å
• c: 17.6738 ± 0.001 Å
• α: 90°
• β: 92.814 ± 0.001°
• γ: 90°
• Cell volume: 7385.3 ± 0.7 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No