Information card for entry 2241428

Structure parameters

• Chemical name: Di-μ-chlorido-bis[chloridobis(tri-<i>tert</i>-butylphosphane)zinc]
• Formula: C24 H54 Cl4 P2 Zn2
• Calculated formula: C24 H54 Cl4 P2 Zn2
• SMILES: CC(C)([P]([Zn]1(Cl)[Cl][Zn]([P](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([Cl]1)Cl)(C(C)(C)C)C(C)(C)C)C
• 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: 14.6408 ± 0.0016 Å
• b: 12.9891 ± 0.0014 Å
• c: 16.819 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3198.5 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193.15 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes