Information card for entry 1546822

Structure parameters

• Formula: C80 H166 Br6 Cu2 N8 O12
• Calculated formula: C80 H166 Br6 Cu2 N8 O12
• SMILES: [Br-].[Br-].[Br-].[Br-].[Br-].[Br-].[Cu]123([n]4c(c5[n]3cc(cc5)C[N+](C)(C)CCCCCCCCCCCC)ccc(c4)C[N+](C)(C)CCCCCCCCCCCC)([Cu]3([n]4c(c5[n]3cc(cc5)C[N+](C)(C)CCCCCCCCCCCC)ccc(c4)C[N+](C)(C)CCCCCCCCCCCC)([OH]1)([OH]2)[OH2])[OH2].O.O.O.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: 30.2435 ± 0.0005 Å
• b: 9.4252 ± 0.0002 Å
• c: 18.2742 ± 0.0003 Å
• α: 90°
• β: 107.545 ± 0.001°
• γ: 90°
• Cell volume: 4966.76 ± 0.16 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• 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: 0.0633
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No