Information card for entry 4306750

Structure parameters

• Formula: C26 H25 Cl2 Cu N5 O8
• Calculated formula: C26 H25 Cl2 Cu N5 O8
• SMILES: [Cu]123([n]4ccccc4C[N]2(Cc2[n]1cccc2)Cc1[n]3c(ccc1)c1ccccc1)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: H2O2-Reactivity of Copper(II) Complexes Supported by Tris[(pyridin-2-yl)methyl]amine Ligands with 6-Phenyl Substituents
• Authors of publication: Atsushi Kunishita; Minoru Kubo; Hirohito Ishimaru; Takashi Ogura; Hideki Sugimoto; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 12032 - 12039
• a: 10.585 ± 0.006 Å
• b: 10.625 ± 0.005 Å
• c: 24.121 ± 0.019 Å
• α: 90°
• β: 95.73 ± 0.04°
• γ: 90°
• Cell volume: 2699 ± 3 ų
• Cell temperature: 153.1 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: 0.05
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No