Information card for entry 4107577

Structure parameters

• Formula: C52 H100 O Si4 Y4
• Calculated formula: C52 H100 O Si4 Y4
• SMILES: [Y]1234567([O]8CCCC8)([c]8([c]4([c]3([c]2([c]18C)C)C)C)[Si](C)(C)C)[H]12[Y]3489%10%11([c]%12([Si](C)(C)C)[c]3([c]4([c]8([c]9%12C)C)C)C)([H]3[Y]489%121([c]1([Si](C)(C)C)[c]4([c]8([c]9([c]%121C)C)C)C)([H][Y]148923([c]2([Si](C)(C)C)[c]1([c]4([c]8([c]92C)C)C)C)([H]%10)[H]7)([H]%11)[H]5)[H]6
• 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: 13.009 ± 0.002 Å
• b: 13.146 ± 0.002 Å
• c: 19.688 ± 0.004 Å
• α: 80.526 ± 0.003°
• β: 86.782 ± 0.003°
• γ: 74.29 ± 0.002°
• Cell volume: 3196.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 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: 0.1534
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.2347
• Weighted residual factors for all reflections included in the refinement: 0.2501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.494
• Diffraction radiation probe: neutron
• Diffraction radiation type: white-beam
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No