Information card for entry 4347039

Structure parameters

• Formula: C72 H65 B Br2 Cl2 Cu3 F4 Mo O2 P9
• Calculated formula: C72 H65 B Br2 Cl2 Cu3 F4 Mo O2 P9
• 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: 12.7309 ± 0.0007 Å
• b: 21.1741 ± 0.0015 Å
• c: 14.8684 ± 0.0013 Å
• α: 90°
• β: 110.373 ± 0.007°
• γ: 90°
• Cell volume: 3757.3 ± 0.5 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 10
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No