Information card for entry 4311333

Structure parameters

• Formula: C38 H45 Cu2 F12 N7 O P2
• Calculated formula: C38 H44.5 Cu2 F12 N7 O P2
• Title of publication: Dicopper-Dioxygen Complex Supported by Asymmetric Pentapyridine Dinucleating Ligand
• Authors of publication: Yoshimitsu Tachi; Kazuki Aita; Shinichi Teramae; Fumito Tani; Yoshinori Naruta; Shunichi Fukuzumi; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4558 - 4560
• a: 34.105 ± 0.005 Å
• b: 18.131 ± 0.002 Å
• c: 14.586 ± 0.002 Å
• α: 90°
• β: 103.084 ± 0.006°
• γ: 90°
• Cell volume: 8785 ± 2 ų
• Cell temperature: 161.1 K
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No