Information card for entry 7050684

Structure parameters

• Formula: C56 H88 Br3 Cu2 N4
• Calculated formula: C56 H88 Br3 Cu2 N4
• SMILES: Br[Cu]12([n]3ccc(cc3c3cc(cc[n]13)C(CCCC)CCCC)C(CCCC)CCCC)[n]1ccc(cc1c1cc(cc[n]21)C(CCCC)CCCC)C(CCCC)CCCC.[Cu](Br)Br
• Title of publication: Structural comparison of CuII complexes in atom transfer radical polymerization
• Authors of publication: Kickelbick, Guido; Pintauer, Tomislav; Matyjaszewski, Krzysztof
• Journal of publication: New Journal of Chemistry
• Year of publication: 2002
• Journal volume: 26
• Journal issue: 4
• Pages of publication: 462
• a: 34.9413 ± 0.0015 Å
• b: 24.8105 ± 0.001 Å
• c: 17.168 ± 0.0007 Å
• α: 90°
• β: 95.362 ± 0.001°
• γ: 90°
• Cell volume: 14818 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1917
• Residual factor for significantly intense reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.3138
• Weighted residual factors for all reflections included in the refinement: 0.3798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No