Information card for entry 1558189

Structure parameters

• Formula: C17 H17 Br2 N O Sn
• Calculated formula: C17 H17 Br2 N O Sn
• Title of publication: Preparation and DFT Studies of κ2C,N-Hypercoordinated Oxazoline Organotins: Monomer Constructs for Stable Polystannanes
• Authors of publication: Bender, Desiree N.; Lough, Alan J.; Wylie, R. Stephen; Gossage, Robert A.; Foucher, Daniel A.
• Journal of publication: Inorganics
• Year of publication: 2020
• Journal volume: 8
• Journal issue: 5
• Pages of publication: 35
• a: 10.5295 ± 0.0007 Å
• b: 10.0336 ± 0.0005 Å
• c: 17.1396 ± 0.0011 Å
• α: 90°
• β: 96.677 ± 0.002°
• γ: 90°
• Cell volume: 1798.5 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No