Information card for entry 7105681

Structure parameters

• Formula: C48 H62 N4 P2 S2 Si4 Ta2
• Calculated formula: C48 H62 N4 P2 S2 Si4 Ta2
• Title of publication: Complete disassembly of carbon disulfide by a ditantalum complex
• Authors of publication: Joachim Ballmann; Alyssa Yeo; Bruce MacKay; Sabine van Rjit; Brian Patrick; Michael Fryzuk
• Journal of publication: Chem.Commun.
• Year of publication: 2010
• Journal volume: 46
• Pages of publication: 8794
• a: 13.9856 ± 0.0008 Å
• b: 16.6498 ± 0.001 Å
• c: 35.4061 ± 0.0018 Å
• α: 90°
• β: 100.996 ± 0.003°
• γ: 90°
• Cell volume: 8093.2 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0288
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No