Information card for entry 4340499

Structure parameters

• Formula: C23 H27 Cl Cu N3 O4
• Calculated formula: C23 H27 Cl Cu N3 O4
• SMILES: [Cu]1234[N](CCc5[n]1cccc5)(CCc1[n]2cccc1)CC([CH]14C=CC=C[CH]3=1)C.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: 15.621 ± 0.002 Å
• b: 17.202 ± 0.002 Å
• c: 8.2593 ± 0.0009 Å
• α: 92.232 ± 0.006°
• β: 90.706 ± 0.004°
• γ: 87.545 ± 0.004°
• Cell volume: 2215.5 ± 0.5 ų
• Cell temperature: 173.1 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: 0.046
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4320711
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No