Information card for entry 7702692

Structure parameters

• Chemical name: Dichlorine-Tetrakis(bisdiphenylphosphino)tetrathiafulvalene-gold(I)
• Formula: C56 H42 Au4 Cl8 P4 S4
• Calculated formula: C56 H38 Au4 Cl8 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: 11.362 ± 0.002 Å
• b: 17.624 ± 0.004 Å
• c: 15.911 ± 0.003 Å
• α: 90°
• β: 104.99 ± 0.03°
• γ: 90°
• Cell volume: 3077.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No