Information card for entry 4325719

Structure parameters

• Formula: C64.75 H84 Cu3 F18 N12 O3.75 P3
• Calculated formula: C64.75 H83 Cu3 F18 N12 O3.75 P3
• Title of publication: Ligand Influence over the Formation of Dinuclear [2+2] versus Trinuclear [3+3] CuI Schiff Base Macrocyclic Complexes
• Authors of publication: Arnau Arbuse; Sukanta Mandal; Somnath Maji; Ma Angeles Martínez; Xavier Fontrodona; Diana Utz; Frank W. Heinemann; Sandra Kisslinger; Siegfried Schindler; Xavier Sala; Antoni Llobet
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6878 - 6889
• a: 11.4563 ± 0.0003 Å
• b: 17.6766 ± 0.0006 Å
• c: 36.2546 ± 0.001 Å
• α: 80.62 ± 0.002°
• β: 81.518 ± 0.002°
• γ: 82.902 ± 0.002°
• Cell volume: 7127.1 ± 0.4 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: 0.1632
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.1976
• Weighted residual factors for all reflections included in the refinement: 0.2238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No