Information card for entry 7005125

Structure parameters

• Formula: C50 H62 N6 P2 Pd2 S2
• Calculated formula: C50 H62 N6 P2 Pd2 S2
• SMILES: c12[Pd]([P](C)(C)C)([n]3c(c2sc(c1)c1cc2[Pd]([n]4c(c2s1)cccc4)(N=C=Nc1c(cccc1C(C)C)C(C)C)[P](C)(C)C)cccc3)N=C=Nc1c(cccc1C(C)C)C(C)C
• 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: 39.276 ± 0.008 Å
• b: 8.758 ± 0.002 Å
• c: 14.875 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5116.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No