Information card for entry 7016826

Structure parameters

• Formula: C25 H29 N3 O2 Pd
• Calculated formula: C25 H29 N3 O2 Pd
• SMILES: [Pd]12(Oc3c(O1)cc(cc3C(C)(C)C)C(C)(C)C)[N](=Nc1[n]2cccc1)c1ccccc1
• Title of publication: Isomeric separation in donor-acceptor systems of Pd(ii) and Pt(ii) and a combined structural, electrochemical and spectroelectrochemical study.
• Authors of publication: Deibel, Naina; Schweinfurth, David; Fiedler, Jan; Záliš, Stanislav; Sarkar, Biprajit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9925 - 9934
• a: 6.9087 ± 0.0004 Å
• b: 10.8143 ± 0.0007 Å
• c: 15.7231 ± 0.0009 Å
• α: 101.526 ± 0.003°
• β: 97.418 ± 0.003°
• γ: 91.407 ± 0.003°
• Cell volume: 1139.86 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.2128
• Weighted residual factors for all reflections included in the refinement: 0.2214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No