Information card for entry 1546821

Structure parameters

• Formula: C80 H154 Br6 Cu N8 O5
• Calculated formula: C80 H154 Br6 Cu N8 O5
• SMILES: [Cu]12(Br)([n]3cc(ccc3c3[n]1cc(cc3)C[N+](C)(C)CCCCCCCCCCCC)C[N+](C)(C)CCCCCCCCCCCC)[n]1cc(ccc1c1[n]2cc(cc1)C[N+](C)(C)CCCCCCCCCCCC)C[N+](C)(C)CCCCCCCCCCCC.[Br-].[Br-].[Br-].[Br-].[Br-].O.O.O.O.O
• Title of publication: pH-controlled crystal growth of copper/gemini surfactant complexes with bipyridine groups
• Authors of publication: Yao, Junyao; Chen, Qibin; Sheng, Yujie; Kai, Aiting; Liu, Honglai
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 39
• Pages of publication: 5835 - 5843
• a: 9.4175 ± 0.0005 Å
• b: 17.1528 ± 0.0009 Å
• c: 28.9801 ± 0.0016 Å
• α: 79.223 ± 0.003°
• β: 89.723 ± 0.004°
• γ: 82.329 ± 0.003°
• Cell volume: 4556.6 ± 0.4 ų
• Cell temperature: 143 ± 2 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2301
• Weighted residual factors for all reflections included in the refinement: 0.2348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No