Information card for entry 4347037

Structure parameters

• Formula: C72 H73.36 B Br2 Cu3 F4 N2 O P6
• Calculated formula: C72 H73.36 B Br2 Cu3 F4 N2 O 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: 12.9373 ± 0.0002 Å
• b: 13.4542 ± 0.0002 Å
• c: 21.4483 ± 0.0002 Å
• α: 88.2465 ± 0.0011°
• β: 73.3789 ± 0.0011°
• γ: 77.9023 ± 0.0014°
• Cell volume: 3496.16 ± 0.09 ų
• Cell temperature: 122.9 ± 0.4 K
• Ambient diffraction temperature: 122.9 ± 0.4 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No