Information card for entry 4347042

Structure parameters

• Formula: C80 H72 B Br2 Cl4 Cu3 F4 Mo2 O4 P8
• Calculated formula: C80 H72 B Br2 Cl4 Cu3 F4 Mo2 O4 P8
• 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: 12.8572 ± 0.0002 Å
• b: 43.8609 ± 0.0009 Å
• c: 14.9221 ± 0.0004 Å
• α: 90°
• β: 95.004 ± 0.002°
• γ: 90°
• Cell volume: 8382.9 ± 0.3 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 10
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No