Information card for entry 4308505

Structure parameters

• Formula: C26 H37 Cl2 Cu N5 O4
• Calculated formula: C26 H37 Cl2 Cu N5 O4
• SMILES: [Cu]123(Cl)[N]4(CCCCC4)Cc4[n]1c(ccc4)CCc1[n]2c(ccc1)C[N]13CCCCC1.Cl(=O)(=O)(=O)[O-].N#CC
• 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: 12.043 ± 0.002 Å
• b: 14.211 ± 0.002 Å
• c: 16.888 ± 0.003 Å
• α: 90°
• β: 101.515 ± 0.003°
• γ: 90°
• Cell volume: 2832.1 ± 0.8 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: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No