Information card for entry 4514098

Structure parameters

• Common name: Bpy-PdCl2
• Chemical name: Bpy-PdCl2
• Formula: C10 H10 Cl2 N4 Pd
• Calculated formula: C10 H10 Cl2 N4 Pd
• SMILES: [Pd]1([n]2cc(N)ccc2c2[n]1cc(N)cc2)(Cl)Cl
• Title of publication: Predesigned Metal-Anchored Building Block for In Situ Generation of Pd Nanoparticles in Porous Covalent Organic Framework: Application in Heterogeneous Tandem Catalysis.
• Authors of publication: Bhadra, Mohitosh; Sasmal, Himadri Sekhar; Basu, Arghya; Midya, Siba P.; Kandambeth, Sharath; Pachfule, Pradip; Balaraman, Ekambaram; Banerjee, Rahul
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2017
• Journal volume: 9
• Journal issue: 15
• Pages of publication: 13785 - 13792
• a: 10.0173 ± 0.0002 Å
• b: 8.6586 ± 0.0002 Å
• c: 13.7906 ± 0.0003 Å
• α: 90°
• β: 99.382 ± 0.002°
• γ: 90°
• Cell volume: 1180.14 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No