Information card for entry 7702338

Structure parameters

• Formula: C14 H20 N4 Pd S6
• Calculated formula: C7 H10 N2 Pd0.5 S3
• Title of publication: Synthesis, X-ray crystal structure and spectroscopic characterization of the new dithiolene [Pd(Et2timdt)2] and of its adduct with molecular diiodine [Pd(Et2timdt)2]·I2·CHCl3 (Et2timdt = monoanion of 1,3-diethylimidazolidine-2,4,5-trithione)
• Authors of publication: Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Garau, Alessandra; Isaia, Francesco; Lelj, Francesco; Lippolis, Vito; Pedraglio, Samuele; Verani, Gaetano
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 22
• Pages of publication: 3731
• a: 9.545 ± 0.002 Å
• b: 5.417 ± 0.002 Å
• c: 20.093 ± 0.004 Å
• α: 90 ± 0°
• β: 93.4 ± 0.02°
• γ: 90 ± 0°
• Cell volume: 1037.1 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1 (a,b+1/4,c)
• Hall space group symbol: P -2yabc
• Residual factor for all reflections: 0.131
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.043
• Goodness-of-fit parameter for all reflections: 0.813
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No