Information card for entry 7105680

Structure parameters

• Formula: C49 H62 N4 P2 S2 Si4 Ta2
• Calculated formula: C49 H62 N4 P2 S2 Si4 Ta2
• SMILES: C1[Si](C)(C)N(c2ccccc2)[Ta]2345(N(c6ccccc6)[Si](C[P]12c1ccccc1)(C)C)C[Ta]125(N(c5ccccc5)[Si](C[P]2(C[Si](C)(C)N1c1ccccc1)c1ccccc1)(C)C)(S3)S4
• 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: 21.9524 ± 0.0008 Å
• b: 21.7688 ± 0.0009 Å
• c: 24.637 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11773.5 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No