Information card for entry 1551204

Structure parameters

• Formula: C52 H142 N7 Na O7 Si12 Th2
• Calculated formula: C52 H142 N7 Na O7 Si12 Th2
• SMILES: C[Si](C)(C)N([Si](C)(C)C)[Th](=[N]=[Th](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[Na]23456[O](CC)CC
• Title of publication: Use of ¹⁵ N NMR spectroscopy to probe covalency in a thorium nitride
• Authors of publication: Staun, Selena L.; Sergentu, Dumitru-Claudiu; Wu, Guang; Autschbach, Jochen; Hayton, Trevor W.
• Journal of publication: Chemical Science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 26
• Pages of publication: 6431 - 6436
• a: 12.391 ± 0.014 Å
• b: 23.18 ± 0.02 Å
• c: 29.92 ± 0.03 Å
• α: 90°
• β: 90.96 ± 0.03°
• γ: 90°
• Cell volume: 8593 ± 15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.232
• Residual factor for significantly intense reflections: 0.119
• Weighted residual factors for significantly intense reflections: 0.1927
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No