Information card for entry 7010875

Structure parameters

• Formula: C34 H42 N S4 Ta
• Calculated formula: C34 H42 N S4 Ta
• SMILES: [Ta](Sc1c(cccc1C)C)(Sc1c(cccc1C)C)(Sc1c(cccc1C)C)(Sc1c(cccc1C)C)N(C)C
• Title of publication: Thiolate derivatives of titanium(iv) and tantalum(v) as precursors to metal sulfides
• Authors of publication: Carmalt, Claire J.; Dinnage, Christopher W.; Parkin, Ivan P.; White, Andrew J. P.; Williams, David J.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 18
• Pages of publication: 2554
• a: 32.088 ± 0.007 Å
• b: 32.088 ± 0.007 Å
• c: 13.126 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13515 ± 5 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.0694
• Goodness-of-fit parameter for all reflections: 1.013
• Goodness-of-fit parameter for significantly intense reflections: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No