Information card for entry 4301587

Structure parameters

• Chemical name: Bis(2,3-but-enedithiolato-κ^2^S,S')bis(trimethyl- phosphine-κP)tungsten(IV)
• Formula: C14 H30 P2 S4 W
• Calculated formula: C14 H30 P2 S4 W
• SMILES: C1(S[W]2([P](C)(C)C)(SC=1C)([P](C)(C)C)SC(=C(S2)C)C)C
• Title of publication: Synthesis, Structures, and Properties of Mixed Dithiolene-Carbonyl and Dithiolene-Phosphine Complexes of Tungsten
• Authors of publication: P. Chandrasekaran; Kuppuswamy Arumugam; Upul Jayarathne; Lisa M. Pérez; Joel T. Mague; James P. Donahue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2103 - 2113
• a: 18.3841 ± 0.0012 Å
• b: 7.4904 ± 0.0005 Å
• c: 17.3797 ± 0.0016 Å
• α: 90°
• β: 121.368 ± 0.001°
• γ: 90°
• Cell volume: 2043.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0138
• Residual factor for significantly intense reflections: 0.0131
• Weighted residual factors for significantly intense reflections: 0.0302
• Weighted residual factors for all reflections included in the refinement: 0.0304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No