Information card for entry 4350583

Structure parameters

• Formula: C42 H50 Cl3 Cu3 N4
• Calculated formula: C42 H50 Cl3 Cu3 N4
• Title of publication: Modeling the mononuclear, dinuclear, and trinuclear copper(I) reaction centers of copper proteins using pyridylalkylamine ligands connected to 1,3,5-triethylbenzene spacer.
• Authors of publication: Ohi, Hiromi; Tachi, Yoshimitsu; Itoh, Shinobu
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 26
• Pages of publication: 10825 - 10835
• a: 9.4612 ± 0.001 Å
• b: 10.8782 ± 0.001 Å
• c: 22.414 ± 0.002 Å
• α: 89.649 ± 0.004°
• β: 78.527 ± 0.004°
• γ: 67.578 ± 0.004°
• Cell volume: 2083.7 ± 0.4 ų
• Cell temperature: 161.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for all reflections included in the refinement: 0.04
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No