Information card for entry 4340205

Structure parameters

• Formula: C90.67 H123 Cu4 F12 N17.33 O22 S4
• Calculated formula: C90.66 H122.99 Cu4 F12 N17.33 O22 S4
• 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: 13.1376 ± 0.0015 Å
• b: 16.701 ± 0.002 Å
• c: 26.734 ± 0.003 Å
• α: 105.424 ± 0.003°
• β: 100.28 ± 0.003°
• γ: 93.037 ± 0.003°
• Cell volume: 5532.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1363
• Residual factor for significantly intense reflections: 0.0905
• Weighted residual factors for significantly intense reflections: 0.2653
• Weighted residual factors for all reflections included in the refinement: 0.3046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No