Information card for entry 4308506

Structure parameters

• Formula: C52 H52 Cl2 Cu2 N6 O16 P2
• Calculated formula: C52 H52 Cl2 Cu2 N6 O16 P2
• SMILES: [Cu]1234[O]=P(O[Cu]56([O]=P(O1)(Oc1ccccc1)Oc1ccccc1)[n]1c(CCc7[n]4c(C[N]3(Cc3[n]2cccc3)C)ccc7)cccc1C[N]5(C)Cc1[n]6cccc1)(Oc1ccccc1)Oc1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Copper(II) Complexes of a Series of Polypyridine Ligands Possessing a 1,2-Bis(2-pyridyl)ethane Common Moiety: Incorporation and Hydrolysis of Phosphate Esters
• Authors of publication: Motoharu Itoh; Jun Nakazawa; Kunihiro Maeda; Koji Kano; Tadashi Mizutani; Masahito Kodera
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 691 - 702
• a: 17.277 ± 0.004 Å
• b: 18.549 ± 0.004 Å
• c: 17.418 ± 0.004 Å
• α: 90°
• β: 95.357 ± 0.005°
• γ: 90°
• Cell volume: 5558 ± 2 ų
• Cell temperature: 223.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No