Information card for entry 2018103

Structure parameters

• Chemical name: μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^- bis[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)] tetranitrate
• Formula: C22 H42 N12 O12 Pd2
• Calculated formula: C22 H42 N12 O12 Pd2
• SMILES: C1C[NH]2CC[NH2][Pd]2([NH2]1)[n]1c(cc(cc1C)c1cc(C)[n](c(c1)C)[Pd]12[NH2]CC[NH]1CC[NH2]2)C.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: μ-2,2',6,6'-Tetramethyl-4,4'-bipyridine-κ^2^<i>N</i>^1^:<i>N</i>^1'^-bis[(diethylenetriamine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')palladium(II)] tetranitrate
• Authors of publication: Seidel, Rüdiger W.; Oppel, Iris M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m199 - m201
• a: 10.7697 ± 0.0006 Å
• b: 8.0282 ± 0.0004 Å
• c: 19.6442 ± 0.0012 Å
• α: 90°
• β: 102.323 ± 0.006°
• γ: 90°
• Cell volume: 1659.33 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0706
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes