Information card for entry 7002362

Structure parameters

• Formula: C30 H32 N10 O9 Pd2
• Calculated formula: C30 H32 N10 O9 Pd2
• SMILES: [Pd]1([n]2ccccc2c2[n]1cccc2)([n]1c(N[Pd]23[n]4ccccc4c4[n]3cccc4)cccc1)Nc1[n]2cccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O
• Title of publication: 1H NMR spectroscopic identification of binding modes of 2,2′-bipyridine ligands in complexes of square-planar d8 metal ions
• Authors of publication: Shen, Wei-Zheng; Trötscher-Kaus, Gabriele; Lippert, Bernhard
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8203 - 8214
• a: 14.188 ± 0.003 Å
• b: 16.115 ± 0.003 Å
• c: 17.888 ± 0.007 Å
• α: 90°
• β: 119.03 ± 0.02°
• γ: 90°
• Cell volume: 3576.1 ± 1.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1795
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No