Information card for entry 2232925

Structure parameters

• Chemical name: Bis[2-(2<i>H</i>-benzotriazol-2-yl)-4-methyl-6- (phenyliminomethyl-κ<i>N</i>)phenolato-κ<i>O</i>]palladium(II)
• Formula: C40 H30 N8 O2 Pd
• Calculated formula: C40 H30 N8 O2 Pd
• SMILES: c12c(cc(cc1C=[N]([Pd]1(O2)[N](=Cc2c(c(cc(c2)C)n2[n]c3ccccc3[n]2)O1)c1ccccc1)c1ccccc1)C)n1nc2ccccc2n1
• Title of publication: Bis[2-(2<i>H</i>-benzotriazol-2-yl)-4-methyl-6-(phenyliminomethyl-κ<i>N</i>)phenolato-κ<i>O</i>]palladium(II)
• Authors of publication: Su, Jing-Kai; Li, Chen-Yu; Ko, Bao-Tsan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1831
• a: 11.7509 ± 0.0002 Å
• b: 11.9846 ± 0.0002 Å
• c: 13.4898 ± 0.0002 Å
• α: 78.808 ± 0.001°
• β: 89.357 ± 0.001°
• γ: 63.535 ± 0.001°
• Cell volume: 1662.2 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes