Information card for entry 2218679

Structure parameters

• Chemical name: {2,2'-[(2,2-Dimethylpropane-1,3-diyl)bis(nitrilomethylidyne)]diphenolato}palladium(II) ethanol hemisolvate
• Formula: C20 H23 N2 O2.5 Pd
• Calculated formula: C20 H23 N2 O2.5 Pd
• Title of publication: {2,2'-[(2,2-Dimethylpropane-1,3-diyl)bis(nitrilomethylidyne)]diphenolato}palladium(II) ethanol hemisolvate
• Authors of publication: Wan Nazihah Wan Ibrahim; Shamsuddin, Mustaffa; Chantrapromma, Suchada; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: m909 - m910
• a: 12.2453 ± 0.0003 Å
• b: 13.7334 ± 0.0003 Å
• c: 22.8442 ± 0.0005 Å
• α: 90°
• β: 101.092 ± 0.001°
• γ: 90°
• Cell volume: 3769.94 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes