Information card for entry 4086803

Structure parameters

• Formula: C28 H42 P2 S2
• Calculated formula: C28 H44 P2 S2
• SMILES: C(CCC(C)C)(C)(C)[P@](c1ccccc1)(=S)[P@](C(CCC(C)C)(C)C)(c1ccccc1)=S
• Title of publication: Reactivity Studies of [(thf)2Mg{μ-C(CH3)2C2H4C(CH3)2}]2: Scrambling Reactions and Diverse Reactions with Dichlorophenylphosphane
• Authors of publication: Fischer, Reinald; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 22
• Pages of publication: 3861
• a: 8.0198 ± 0.0007 Å
• b: 9.2558 ± 0.0008 Å
• c: 11.4204 ± 0.0009 Å
• α: 111.061 ± 0.005°
• β: 93.96 ± 0.005°
• γ: 112.432 ± 0.005°
• Cell volume: 710.04 ± 0.11 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0946
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.1736
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No