Information card for entry 4340206

Structure parameters

• Formula: C81 H115.5 Cl4 Cu4 N14.5 O25
• Calculated formula: C81 H115.5 Cl4 Cu4 N14.5 O24.99
• 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: 41.432 ± 0.005 Å
• b: 12.453 ± 0.002 Å
• c: 26.216 ± 0.003 Å
• α: 90°
• β: 127.805 ± 0.005°
• γ: 90°
• Cell volume: 10687 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.2023
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No