Information card for entry 2241430

Structure parameters

• Chemical name: Tri-<i>tert</i>-butylphosphonium aquatrichloridozincate 1,2-dichloroethane monosolvate
• Formula: C14 H34 Cl5 O P Zn
• Calculated formula: C14 H34 Cl5 O P Zn
• 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: 25.3722 ± 0.0005 Å
• b: 8.5841 ± 0.0002 Å
• c: 32.912 ± 0.002 Å
• α: 90°
• β: 98.909 ± 0.007°
• γ: 90°
• Cell volume: 7081.7 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 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: 0.0812
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes