Information card for entry 4333201

Structure parameters

• Formula: C44 H64 Cu2 F12 N8 P2
• Calculated formula: C44 H64 Cu2 F12 N8 P2
• Title of publication: Redox-Controlled Molecular Flipper Based on a Chiral Cu Complex
• Authors of publication: Company, Anna; Güell, Mireia; Popa, Dana; Benet-Buchholz, Jordi; Parella, Teodor; Fontrodona, Xavier; Llobet, Antoni; Solà, Miquel; Ribas, Xavi; Luis, Josep M.; Costas, Miquel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 24
• Pages of publication: 9643 - 9645
• a: 16.921 ± 0.003 Å
• b: 34.176 ± 0.006 Å
• c: 8.4534 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4888.5 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No