Information card for entry 2241429

Structure parameters

• Chemical name: Dichlorido(tetrahydrofuran-κ<i>O</i>)(tri-<i>tert</i>-butylphosphane-κ<i>P</i>)zinc
• Formula: C16 H35 Cl2 O P Zn
• Calculated formula: C16 H35 Cl2 O P Zn
• SMILES: [Zn](Cl)(Cl)([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[O]1CCCC1
• Title of publication: Crystal structures of three complexes of zinc chloride with tri-<i>tert</i>-butylphosphane
• Authors of publication: Finke, Aaron D.; Gray, Danielle L.; Moore, Jeffrey S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 35 - 39
• a: 26.458 ± 0.0011 Å
• b: 8.9281 ± 0.0004 Å
• c: 8.579 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2026.53 ± 0.16 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes