Information card for entry 4309200

Structure parameters

• Formula: C48 H40 Br4 N2 P2 Pd2 S Se2
• Calculated formula: C48 H40 Br4 N2 P2 Pd2 S Se2
• SMILES: [Pd]1(Br)(Br)[Se]2N=S=N[Se]1[Pd]2(Br)Br.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthetic Applications of (Me3SiNSN)2E (E = S, Se) in Chalcogen-Nitrogen Chemistry: Formation and Structural Characterization of Cl2TeESN2 (E = S, Se) and [PPh4]2[Pd2(μ-Se2N2S)X4] (X = Cl, Br)
• Authors of publication: Jari Konu; Markku Ahlgrén; Stephen M. Aucott; Tristram Chivers; Sophie H. Dale; Mark R. J. Elsegood; Kathryn E. Holmes; Sarah L. M. James; Paul F. Kelly; Risto S. Laitinen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4992 - 5000
• a: 9.9248 ± 0.0004 Å
• b: 34.8896 ± 0.0013 Å
• c: 14.6325 ± 0.0006 Å
• α: 90°
• β: 97.255 ± 0.002°
• γ: 90°
• Cell volume: 5026.3 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No