Information card for entry 4086226

Structure parameters

• Formula: C19 H42 N2 S Si2 Zr
• Calculated formula: C19 H42 N2 S Si2 Zr
• SMILES: [Zr]12345([N]([Si](C)(C)C)=S(N1[Si](C)(C)C)C)([c]1([c]3([c]4([c]5([C]21C)C)C)C)C)(C)C
• Title of publication: Synthesis and X-ray Crystal Structure of Diimidosulfinate Transition Metal Complexes
• Authors of publication: Bayram, Melike; Bläser, Dieter; Wölper, Christoph; Schulz, Stephan
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3421
• a: 10.9025 ± 0.0005 Å
• b: 15.0072 ± 0.0006 Å
• c: 15.5883 ± 0.0007 Å
• α: 90°
• β: 94.962 ± 0.003°
• γ: 90°
• Cell volume: 2540.94 ± 0.19 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 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: 0.0718
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No