Information card for entry 2216204

Structure parameters

• Chemical name: Chlorido{1-[2-(ethylsulfonyl)phenyldiazenyl]-4-methoxy-2-naphthyl- κ^3^C,N,O}palladium(II) sesquihydrate
• Formula: C19 H20 Cl N2 O4.5 Pd S
• Calculated formula: C19 H20 Cl N2 O4.5 Pd S
• SMILES: [Pd]12(c3cc(c4c(c3N=[N]2c2c(S(=[O]1)(=O)CC)cccc2)cccc4)OC)Cl.O.O
• Title of publication: Chlorido{1-[2-(ethylsulfonyl)phenyldiazenyl]-4-methoxy-2-naphthyl-κ^3^<i>C</i>,<i>N</i>,<i>O</i>}palladium(II) sesquihydrate
• Authors of publication: Chhetri, Satyadeep Singh; Biswas, Achintesh Narayan; Das, Purak; Saha, Abhisek; Bandyopadhyay, Pinaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m2973 - m2974
• a: 21.187 ± 0.0018 Å
• b: 17.1097 ± 0.0014 Å
• c: 13.4827 ± 0.0011 Å
• α: 90°
• β: 124.824 ± 0.001°
• γ: 90°
• Cell volume: 4012.2 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes