Information card for entry 4350132

Structure parameters

• Formula: C30 H49 Cu2 F12 N7 O2 P2
• Calculated formula: C30 H49 Cu2 F12 N7 O2 P2
• Title of publication: Copper(II) hexaaza macrocyclic binuclear complexes obtained from the reaction of their copper(I) derivates and molecular dioxygen.
• Authors of publication: Costas, Miquel; Ribas, Xavi; Poater, Albert; López Valbuena, Josep Maria; Xifra, Raül; Company, Anna; Duran, Miquel; Solà, Miquel; Llobet, Antoni; Corbella, Montserrat; Usón, Miguel Angel; Mahía, José; Solans, Xavier; Shan, Xiaopeng; Benet-Buchholz, Jordi
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3569 - 3581
• a: 22.107 ± 0.006 Å
• b: 18.991 ± 0.003 Å
• c: 9.44 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3963.2 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections: 0.1435
• Weighted residual factors for significantly intense reflections: 0.1258
• Goodness-of-fit parameter for all reflections: 1.137
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No