Information card for entry 7000115

Structure parameters

• Formula: C28 H29 Cl Cu N3 O4
• Calculated formula: C28 H29 Cl Cu N3 O4
• SMILES: [Cu]123[N](Cc4[n]1c(C)ccc4)(Cc1[n]2c(C)ccc1)CC(C1=CC=CC=[CH]31)c1ccccc1.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: 7.715 ± 0.004 Å
• b: 8.887 ± 0.006 Å
• c: 9.361 ± 0.006 Å
• α: 83.77 ± 0.03°
• β: 88.29 ± 0.02°
• γ: 75.93 ± 0.03°
• Cell volume: 618.9 ± 0.7 ų
• Cell temperature: 158.2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No