Information card for entry 1507982

Structure parameters

• Formula: C65 H116 Dy4 Mo Si4
• Calculated formula: C65 H116 Dy4 Mo Si4
• SMILES: [Dy]1234567([c]8([c]1([c]2([c]3([c]48C)C)C)C)[Si](C)(C)C)[H][Dy]123489%10([c]%11([Si](C)(C)C)[c]1([c]2([c]3([c]4%11C)C)C)C)[H][Dy]1234%11([c]%12([Si](C)(C)C)[c]1([c]2([c]3([c]4%12C)C)C)C)([H]5)[H][Dy]12345([c]%12([c]4([c]3([c]2([c]1%12C)C)C)C)[Si](C)(C)C)([H]8%11)[H]%10[Mo]1234([c]8([c]1([c]2([c]3([c]48C)C)C)C)C)([H]69)([H]7)[H]5.Cc1ccccc1
• 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: 13.2652 ± 0.0013 Å
• b: 30.812 ± 0.003 Å
• c: 17.8231 ± 0.0018 Å
• α: 90°
• β: 92.078 ± 0.002°
• γ: 90°
• Cell volume: 7280 ± 1.2 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: 0.0815
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No