Information card for entry 7704564

Structure parameters

• Common name: PdHL2Cl2
• Formula: C15 H27 Cl2 N5 O7 Pd
• Calculated formula: C15 H27 Cl2 N5 O7 Pd
• SMILES: [C@@H]1(C(=O)N(CC(=O)NCC(=O)NCC[n+]2c(c(c(cc2)O)O)C)[Pd]([NH2]1)(Cl)Cl)C.O.O
• Title of publication: Pd(ii)-Complexes of a novel pyridinone based tripeptide conjugate: solution and solid state studies.
• Authors of publication: Ozsváth, András; Diószegi, Róbert; Bényei, Attila Csaba; Buglyó, Péter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 27
• Pages of publication: 9254 - 9267
• a: 5.7219 ± 0.0002 Å
• b: 15.7524 ± 0.0005 Å
• c: 12.0932 ± 0.0004 Å
• α: 90°
• β: 97.513 ± 0.001°
• γ: 90°
• Cell volume: 1080.65 ± 0.06 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No