Information card for entry 7218536

Structure parameters

• Formula: C26 H44 Br4 Cu2 N6 O
• Calculated formula: C26 H44 Br4 Cu2 N6 O
• SMILES: Br[Cu]12([OH2])[N]3(CC[NH]1Cc1ccc(cc1)C[NH]1[Cu]4(Br)(Br)[N](CC1)(CC[NH]4Cc1ccc(cc1)C[NH]2CC3)C)C.[Br-]
• Title of publication: A highly efficient dinuclear Cu(II) chemosensor for colorimetric and fluorescent detection of cyanide in water
• Authors of publication: Rhaman, Md Mhahabubur; Alamgir, Azmain; Wong, Bryan; Powell, Douglas; Hossain, Md. Alamgir
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 7.9296 ± 0.001 Å
• b: 9.0949 ± 0.0012 Å
• c: 22.638 ± 0.003 Å
• α: 90°
• β: 99.403 ± 0.007°
• γ: 90°
• Cell volume: 1610.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No