Information card for entry 4347035

Structure parameters

• Formula: C70 H67 B Cu3 F4 I2 N3 P6
• Calculated formula: C70 H67 B Cu3 F4 I2 N3 P6
• Title of publication: Self-Assembly of Reactive Linear Cu3 Building Blocks for Supramolecular Coordination Chemistry and Their Reactivity toward E(n) Ligand Complexes.
• Authors of publication: Fleischmann, Martin; Dütsch, Luis; Elsayed Moussa, Mehdi; Balázs, Gábor; Kremer, Werner; Lescop, Christophe; Scheer, Manfred
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 6
• Pages of publication: 2840 - 2854
• a: 14.1918 ± 0.0002 Å
• b: 15.0336 ± 0.0003 Å
• c: 21.1593 ± 0.0004 Å
• α: 94.291 ± 0.002°
• β: 107.91 ± 0.002°
• γ: 102.175 ± 0.002°
• Cell volume: 4151.42 ± 0.15 ų
• Cell temperature: 122.97 ± 0.19 K
• Ambient diffraction temperature: 122.97 ± 0.19 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No