Information card for entry 4340498

Structure parameters

• Formula: C26 H32 Cl Cu N4 O4
• Calculated formula: C26 H32 Cl Cu N4 O4
• SMILES: [Cu]12([N](CCc3[n]1c(C)ccc3)(CCc1[n]2c(C)ccc1)CCc1ccccc1)[N]#CC.Cl(=O)(=O)(=O)[O-]
• Title of publication: Modulation of Coordination Chemistry in Copper(I) Complexes Supported by Bis[2-(2-pyridyl)ethyl]amine-Based Tridentate Ligands
• Authors of publication: Osako, Takao; Tachi, Yoshimitsu; Taki, Masayasu; Fukuzumi, Shunichi; Itoh, Shinobu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 6604 - 6609
• a: 11.956 ± 0.001 Å
• b: 12.073 ± 0.001 Å
• c: 10.379 ± 0.001 Å
• α: 106.494 ± 0.002°
• β: 106.108 ± 0.005°
• γ: 99.266 ± 0.003°
• Cell volume: 1332.5 ± 0.2 ų
• Cell temperature: 158.1 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: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4320710
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No