Information card for entry 7714497

Structure parameters

• Formula: C13 H16 Cl2 N2 O Pd Se
• Calculated formula: C13 H16 Cl2 N2 O Pd Se
• SMILES: [Pd]1([Se](c2c(n3[n]1c(cc3C)C)cccc2)CCO)(Cl)Cl
• Title of publication: Hydrogen-bonded linear chain assemblies of palladium(II)-selenoether complexes: solid state aggregates as template for nano-structural Pd17Se15 leading to efficient electrocatalytic activity.
• Authors of publication: kumbhare, liladhar B.; Singla, Hardik; Prathap, Anu M. U.; Sawant, Shilpa; Wadawale, A. P.; Ruz, Priyanka; Bahadur, Jitendra
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 7.6055 ± 0.0002 Å
• b: 14.6919 ± 0.0004 Å
• c: 14.4987 ± 0.0004 Å
• α: 90°
• β: 95.022 ± 0.002°
• γ: 90°
• Cell volume: 1613.85 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No