Information card for entry 4308504

Structure parameters

• Formula: C18 H26 Cl2 Cu N4 O4
• Calculated formula: C18 H26 Cl2 Cu N4 O4
• SMILES: [Cu]123(Cl)[N](C)(C)Cc4[n]1c(ccc4)CCc1[n]2c(ccc1)C[N]3(C)C.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: 11.588 ± 0.002 Å
• b: 14.246 ± 0.002 Å
• c: 13.297 ± 0.002 Å
• α: 90°
• β: 100.108 ± 0.003°
• γ: 90°
• Cell volume: 2161 ± 0.6 ų
• Cell temperature: 223.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No