Information card for entry 7000117

Structure parameters

• Formula: C22 H23 Cl Cu N3 O5
• Calculated formula: C22 H23 Cl Cu N3 O5
• SMILES: [Cu]12([N](Cc3[n]1c(ccc3)C)(Cc1[n]2c(ccc1)C)Cc1ccccc1)C#[O].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: 11.159 ± 0.002 Å
• b: 17.147 ± 0.002 Å
• c: 12.387 ± 0.002 Å
• α: 88.88 ± 0.01°
• β: 109.24 ± 0.01°
• γ: 91.35 ± 0.01°
• Cell volume: 2237 ± 0.6 ų
• Cell temperature: 153.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.393
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No