Information card for entry 2234301

Structure parameters

• Chemical name: {5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}palladium(II)
• Formula: C21 H24 N2 O4 Pd
• Calculated formula: C21 H24 N2 O4 Pd
• SMILES: c12cc(ccc2C=[N]2[Pd]3(O1)[N](=Cc1c(cc(cc1)OC)O3)CC(C2)(C)C)OC
• Title of publication: {5,5'-Dimethoxy-2,2'-[2,2-dimethylpropane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}palladium(II)
• Authors of publication: Che Soh, Siti Kamilah; Shamsuddin, Mustaffa; Rosli, Mohd Mustaqim; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m514 - m515
• a: 11.547 ± 0.0004 Å
• b: 20.9656 ± 0.0007 Å
• c: 7.873 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1905.97 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0173
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0425
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes