Information card for entry 7035079

Structure parameters

• Formula: C15 H28 Cl2 N4 O3 Pd S2
• Calculated formula: C14 H24 Cl2 N4 O2 Pd S2
• SMILES: [Pd]123(Cl)[S]=c4n(ccn4C[CH]2=[CH]3Cn2c(=[S]1)n(cc2)C)C.[Cl-].OC.CO
• Title of publication: Synthesis of a new type of alkene metal complex using face-capping thione-alkene ligands.
• Authors of publication: Zhang, Long; Yan, Tao; Han, Ying-Feng; Hahn, F. Ekkehardt; Jin, Guo-Xin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8797 - 8800
• a: 15.409 ± 0.002 Å
• b: 7.4204 ± 0.001 Å
• c: 20.302 ± 0.003 Å
• α: 90°
• β: 100.341 ± 0.002°
• γ: 90°
• Cell volume: 2283.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0427
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No