Information card for entry 7102750

Structure parameters

• Common name: cis-(o-DMTTF)2(PPh)2, THF
• Formula: C32 H30 O P2 S8
• Calculated formula: C32 H22 O P2 S8
• Title of publication: 1,4-Dihydro-1,4-diphosphinine fused with two tetrathiafulvalenes.
• Authors of publication: Avarvari, Narcis; Fourmigué, Marc
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 2794 - 2795
• a: 12.5674 ± 0.0014 Å
• b: 13.0748 ± 0.0014 Å
• c: 13.2647 ± 0.0014 Å
• α: 62.261 ± 0.011°
• β: 69.342 ± 0.012°
• γ: 67.485 ± 0.012°
• Cell volume: 1741 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No