Information card for entry 4340203

Structure parameters

• Formula: C23 H34 Cu F6 N6 O6 S2
• Calculated formula: C23 H34 Cu F6 N6 O6 S2
• Title of publication: Isomeric molecular rectangles resulting from self-assembly of dicopper complexes of macrocyclic ligands.
• Authors of publication: Company, Anna; Gómez, Laura; López Valbuena, Josep Maria; Mas-Ballesté, Ruben; Benet-Buchholz, Jordi; Llobet, Antoni; Costas, Miquel
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2501 - 2508
• a: 10.6473 ± 0.001 Å
• b: 12.4122 ± 0.0012 Å
• c: 14.1083 ± 0.0014 Å
• α: 64.789 ± 0.003°
• β: 75.012 ± 0.004°
• γ: 65.012 ± 0.004°
• Cell volume: 1521.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 0.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No