Information card for entry 4304419

Structure parameters

• Formula: C96 H81 O5 Si5 Ta
• Calculated formula: C96 H81 O5 Si5 Ta
• SMILES: [Ta](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Oxygen-Centered Hexatantalum Tetradecaimido Cluster Complexes
• Authors of publication: Jamin L. Krinsky; Laura L. Anderson; John Arnold; Robert G. Bergman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1053 - 1066
• a: 22.873 ± 0.003 Å
• b: 13.937 ± 0.002 Å
• c: 26.999 ± 0.004 Å
• α: 90°
• β: 107.564 ± 0.003°
• γ: 90°
• Cell volume: 8206 ± 2 ų
• Cell temperature: 165 ± 2 K
• Ambient diffraction temperature: 165 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No