Information card for entry 2222122

Structure parameters

• Chemical name: Bis[2-(2<i>H</i>-benzotriazol-2-yl)-4-methylphenolato]palladium(II)
• Formula: C26 H20 N6 O2 Pd
• Calculated formula: C26 H20 N6 O2 Pd
• SMILES: [Pd]12([n]3c4ccccc4nn3c3c(O1)ccc(c3)C)Oc1c(cc(cc1)C)n1[n]2c2ccccc2n1
• Title of publication: Bis[2-(2<i>H</i>-benzotriazol-2-yl)-4-methylphenolato]palladium(II)
• Authors of publication: Tsai, Chen-Yen; Lin, Chia-Her; Ko, Bao-Tsan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m619
• a: 12.9768 ± 0.0007 Å
• b: 5.699 ± 0.0003 Å
• c: 15.6035 ± 0.0008 Å
• α: 90°
• β: 109.287 ± 0.003°
• γ: 90°
• Cell volume: 1089.19 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0486
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes