Information card for entry 4077895

Structure parameters

• Formula: C19 H28 Cl2 N2 O2 Pd S2
• Calculated formula: C19 H28 Cl2 N2 O2 Pd S2
• SMILES: [Pd]1(=C(Nc2c(cccc2C)C)c2ccccc2[NH2]1)(Cl)Cl.S(=O)(C)C.S(=O)(C)C
• Title of publication: Synthesis and Reactivity of [PdCl2{C,N-C6H4C(═NHXy)NH2-2}] and Neutral Palladium 1,2-Dihydroquinazolinium-4-yl Complexes: Depalladation Reactions
• Authors of publication: Mart\?ínez-Martínez, Antonio-Jesús; Vicente, José; Chicote, Mar\?ía-Teresa; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2697
• a: 17.2928 ± 0.0006 Å
• b: 10.4178 ± 0.0004 Å
• c: 13.6469 ± 0.0005 Å
• α: 90°
• β: 103.161 ± 0.002°
• γ: 90°
• Cell volume: 2393.95 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0212
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections included in the refinement: 0.0511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No