Information card for entry 7010456

Structure parameters

• Formula: C48 H40 N2 P4 Pd S4
• Calculated formula: C48 H40 N2 P4 Pd S4
• SMILES: N1=P(S[Pd]2([S]=P1(c1ccccc1)c1ccccc1)[S]=P(N=P(S2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Oxidation of palladium powder by the adduct Ph2P(S)NHP(S)Ph2·I2. Crystal structure of PdL2
• Authors of publication: Abbati, G. Luca; Aragoni, M. Carla; Arca, Massimiliano; Devillanova, Francesco A.; Fabretti, Antonio C.; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito; Verani, Gaetano
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 7
• Pages of publication: 1105
• a: 8.8384 ± 0.001 Å
• b: 11.516 ± 0.002 Å
• c: 13.328 ± 0.002 Å
• α: 112.14 ± 0.01°
• β: 100.22 ± 0.01°
• γ: 105.204 ± 0.011°
• Cell volume: 1153.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Weighted residual factors for all reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.0821
• Goodness-of-fit parameter for all reflections: 1.046
• Goodness-of-fit parameter for significantly intense reflections: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No