Information card for entry 7028037

Structure parameters

• Formula: C27 H23 Cl N3 O3 P Pd
• Calculated formula: C27 H23 Cl N3 O3 P Pd
• SMILES: [Pd]1([N](Nc2c1cc(cc2)N(=O)=O)=CC(=O)C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl
• Title of publication: Hydrazo-keto and azo-enol tautomerism in organometallic palladacycles. New bidentate monoanionic and tridentate bianionic ligands
• Authors of publication: Albert, Joan; González, Asensio; Granell, Jaume; Moragas, Rosa; Solans, Xavier; Font-Bardía, Mercè
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 11
• Pages of publication: 1781
• a: 9.475 ± 0.003 Å
• b: 10.4872 ± 0.001 Å
• c: 13.301 ± 0.0015 Å
• α: 77.012 ± 0.007°
• β: 83.563 ± 0.015°
• γ: 87.239 ± 0.013°
• Cell volume: 1279.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for all reflections: 0.1538
• Weighted residual factors for significantly intense reflections: 0.126
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No