Information card for entry 4107578

Structure parameters

• Formula: C52 H100 O Si4 Y4
• Calculated formula: C52 H100 O Si4 Y4
• Title of publication: Neutron Diffraction Studies on a 4-Coordinate Hydrogen Atom in an Yttrium Cluster
• Authors of publication: Muhammed Yousufuddin; Matthias J. Gutmann; Jens Baldamus; Olivier Tardif; Zhaomin Hou; Sax A. Mason; Garry J. McIntyre; Robert Bau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 3888 - 3891
• a: 12.988 ± 0.002 Å
• b: 13.134 ± 0.002 Å
• c: 19.626 ± 0.003 Å
• α: 80.443 ± 0.011°
• β: 86.673 ± 0.01°
• γ: 74.379 ± 0.01°
• Cell volume: 3179.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0885
• Weighted residual factors for significantly intense reflections: 0.224
• Weighted residual factors for all reflections included in the refinement: 0.224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: neutron
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No