Information card for entry 1551584

Structure parameters

• Formula: C21 H21 N2 O4 Pd
• Calculated formula: C21 H24 N2 O4 Pd
• SMILES: [Pd]123Oc4ccc(cc4C=[N]2CC(C[N]3=Cc2c(ccc(c2)OC)O1)(C)C)OC
• Title of publication: Crystal Structure of 2,2′-(((2,2-Dimethylpropane-1,3-diyl)bis(azanylylidene))bis(methanylylidene))bis(4-methoxyphenol)palladium(II)
• Authors of publication: AHMAD, Shahrul Nizam; BAHRON, Hadariah; TAJUDDIN, Amalina M.; YUSOF, M. Sukeri M.
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2017
• Journal volume: 33
• Journal issue: 0
• Pages of publication: 73
• a: 12.5115 ± 0.0007 Å
• b: 10.5337 ± 0.0006 Å
• c: 15.008 ± 0.0009 Å
• α: 90°
• β: 94.0547 ± 0.0019°
• γ: 90°
• Cell volume: 1973 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No