Information card for entry 7000114

Structure parameters

• Formula: C22 H25 Cl Cu N3 O4
• Calculated formula: C22 H25 Cl Cu N3 O4
• SMILES: [Cu]123[N](Cc4[n]1c(C)ccc4)(Cc1[n]2c(C)ccc1)CCC1=[CH]3C=CC=C1.Cl(=O)(=O)(=O)[O-]
• Title of publication: Structure and dioxygen-reactivity of copper(I) complexes supported by bis(6-methylpyridin-2-ylmethyl)amine tridentate ligands.
• Authors of publication: Osako, Takao; Terada, Shohei; Tosha, Takehiko; Nagatomo, Shigenori; Furutachi, Hideki; Fujinami, Shuhei; Kitagawa, Teizo; Suzuki, Masatatsu; Itoh, Shinobu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 21
• Pages of publication: 3514 - 3521
• a: 11.7088 ± 0.0003 Å
• b: 14.6661 ± 0.0005 Å
• c: 12.4843 ± 0.0004 Å
• α: 90°
• β: 93.147 ± 0.001°
• γ: 90°
• Cell volume: 2140.6 ± 0.11 ų
• Cell temperature: 158.2 K
• Number of distinct elements: 6
• 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: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.48
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No