Information card for entry 4347038

Structure parameters

• Formula: C66 H62 B Cl4 Cu3 F4 I2 P6
• Calculated formula: C66 H62 B Cl4 Cu3 F4 I2 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: 14.1533 ± 0.0002 Å
• b: 15.0547 ± 0.0002 Å
• c: 21.4267 ± 0.0003 Å
• α: 95.7164 ± 0.0011°
• β: 106.795 ± 0.0013°
• γ: 101.52 ± 0.0012°
• Cell volume: 4222.04 ± 0.11 ų
• Cell temperature: 122.9 ± 0.6 K
• Ambient diffraction temperature: 122.9 ± 0.6 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: 0.0666
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No