Information card for entry 7005126

Structure parameters

• Formula: C40 H62 Cl4 N4 P4 Pd2 S2
• Calculated formula: C40 H62 Cl4 N4 P4 Pd2 S2
• SMILES: c1(ccc(s1)c1ccc(s1)[Pd](N=C=Nc1c(cccc1C)C)([P](C)(C)C)[P](C)(C)C)[Pd](N=C=Nc1c(cccc1C)C)([P](C)(C)C)[P](C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Dinuclear palladium-azido complexes containing thiophene derivatives: reactivity toward organic isocyanides and isothiocyanates.
• Authors of publication: Chang, Xiaohong; Kim, Mi-Young; Kim, Yong-Joo; Huh, Hyun Sue; Lee, Soon W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 7
• Pages of publication: 792 - 801
• a: 8.5056 ± 0.0017 Å
• b: 12.325 ± 0.002 Å
• c: 13.107 ± 0.004 Å
• α: 87.887 ± 0.017°
• β: 76.69 ± 0.02°
• γ: 81.063 ± 0.016°
• Cell volume: 1320.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No