Information card for entry 1507987

Structure parameters

• Formula: C64 H126 P Si4 W Y4
• Calculated formula: C64 H126 P Si4 W Y4
• 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: 13.4105 ± 0.0012 Å
• b: 14.0678 ± 0.0012 Å
• c: 22.368 ± 0.002 Å
• α: 95.1377 ± 0.001°
• β: 92.0563 ± 0.001°
• γ: 118.155 ± 0.001°
• Cell volume: 3690.9 ± 0.6 ų
• Cell temperature: 20 ± 2 K
• Ambient diffraction temperature: 20 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.2389
• Weighted residual factors for all reflections included in the refinement: 0.2852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.248 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No