Information card for entry 1557216

Structure parameters

• Common name: 1,2-Bis[bis(2-methylthiophenyl)phosphino]ethane
• Formula: C30 H32 P2 S4
• Calculated formula: C30 P2 S4
• SMILES: P(CCP(c1c(SC)cccc1)c1c(SC)cccc1)(c1c(SC)cccc1)c1c(SC)cccc1
• Title of publication: X-Ray Crystal Structure of 1,2-Bis[bis(2-methylthiophenyl)phosphino]ethane
• Authors of publication: Laitinen, Riitta H.; Losonczi, Judit; Pursiainen, Jouni; Ahlgren, Markku
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1997
• Journal volume: 51
• Pages of publication: 804 - 806
• a: 13.586 ± 0.003 Å
• b: 7.729 ± 0.002 Å
• c: 15.57 ± 0.005 Å
• α: 90°
• β: 112.95 ± 0.02°
• γ: 90°
• Cell volume: 1505.5 ± 0.7 ų
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.31
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No