Information card for entry 7022352

Structure parameters

• Formula: C20 H22 N2 O4 Pd2
• Calculated formula: C20 H22 N2 O4 Pd2
• SMILES: c12c(cccc1)[Pd]13([NH]=C2C)[O]=C(O[Pd]23(c3c(cccc3)C(C)=[NH]2)[O]=C(O1)C)C
• Title of publication: Reactivity of polynuclear palladium carboxylate complexes towards acetonitrile: synthesis and X-ray study of Pd2(C6H4-o-C(=NH)CH3)2(CH3CO2)2 and Pd5(CH3C(=N)OC(=N)CH3)(NO)(NO2)x(RCO2)7-x.
• Authors of publication: Shishilov, Oleg N.; Akhmadullina, Nailya S.; Rezinkova, Yaroslavna N.; Podobedov, Roman E.; Churakov, Andrei V.; Efimenko, Inessa A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 3712 - 3720
• a: 13.1912 ± 0.0019 Å
• b: 20.076 ± 0.003 Å
• c: 32.596 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8632 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No