Information card for entry 7154114

Structure parameters

• Formula: C26 H27 Cl2 Cu N5 O
• Calculated formula: C26 H27 Cl2 Cu N5 O
• SMILES: [Cu]12(Cl)(Cl)[n]3ccccc3c3[n]1c(c1[n]2cccc1)cc(c3)c1ccc(N(C)C)cc1.O=CN(C)C
• Title of publication: Transition metal ion induced hydrogelation by amino-terpyridine ligands.
• Authors of publication: Bhowmik, Sandip; Ghosh, Biswa Nath; Rissanen, Kari
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 44
• Pages of publication: 8836 - 8839
• a: 9.5245 ± 0.0006 Å
• b: 10.9766 ± 0.0006 Å
• c: 13.0812 ± 0.0003 Å
• α: 66.231 ± 0.005°
• β: 83.209 ± 0.005°
• γ: 83.846 ± 0.005°
• Cell volume: 1240.14 ± 0.12 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.0419
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No