Information card for entry 7702691

Structure parameters

• Formula: C55 H41 Cl3 P4 S4
• Calculated formula: C55 H41 Cl3 P4 S4
• Title of publication: Tetrathiafulvalene-functionalized phosphine as a coordinating ligand. X-Ray structures of (PPh2)4TTF and [(AuCl)4{(PPh2)4TTF}]
• Authors of publication: Cerrada, Elena; Diaz, Carmelo; Diaz, M. Cristina; Hursthouse, Michael B.; Laguna, Mariano; Light, Mark E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1104
• a: 9.68 ± 0.0009 Å
• b: 11.7691 ± 0.001 Å
• c: 12.6621 ± 0.0012 Å
• α: 72.829 ± 0.006°
• β: 69.653 ± 0.004°
• γ: 82.261 ± 0.005°
• Cell volume: 1291.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1109
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No