Information card for entry 4350584

Structure parameters

• Formula: C66 H75 Cu3 F9 N9 O9 S3
• Calculated formula: C66 H75 Cu3 F9 N9 O9 S3
• 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: 24.496 ± 0.001 Å
• b: 24.496 ± 0.001 Å
• c: 10.4042 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5406.7 ± 0.4 ų
• Cell temperature: 161.1 K
• Number of distinct elements: 7
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0479
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No