Information card for entry 4349559

Structure parameters

• Formula: C28 H32 Cl Cu N12 O4
• Calculated formula: C28 H32 Cl Cu N12 O4
• SMILES: C1Cn2c[n](cc2)[Cu]2([n]3cn(CCNC4=C(C(=O)C4=O)NCCn4c[n]2cc4)cc3)[n]2ccn(CCNC3=C(C(=O)C3=O)N1)c2.[Cl-]
• Title of publication: Bromide anion-triggered visible responsive metallogels based on squaramide complexes
• Authors of publication: Wu, Di; Jiang, Ruyong; Luo, Liang; He, Zhen; You, Jingsong
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 12
• Pages of publication: 1597
• a: 27.9361 ± 0.0013 Å
• b: 25.418 ± 0.0014 Å
• c: 6.0524 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4297.7 ± 0.4 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.263
• Weighted residual factors for all reflections included in the refinement: 0.2698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No