Information card for entry 4316233

Structure parameters

• Formula: C26 H44 Br4 Cu2 N6 O
• Calculated formula: C26 H44 Br4 Cu2 N6 O
• SMILES: Br[Cu]12(Br)[N]3(CC[NH]1Cc1ccc(cc1)C[NH]1[Cu]4(Br)([OH2])[N](CC1)(CC[NH]4Cc1ccc(cc1)C[NH]2CC3)C)C.[Br-]
• Title of publication: Anion Recognition and Sensing by a New Macrocyclic Dinuclear Copper(II) Complex: A Selective Receptor for Iodide
• Authors of publication: John S. Mendy; Musabbir A. Saeed; Frank R. Fronczek; Douglas R. Powell; Md. Alamgir Hossain
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 7223 - 7225
• a: 7.9327 ± 0.001 Å
• b: 9.111 ± 0.0011 Å
• c: 22.667 ± 0.002 Å
• α: 90°
• β: 99.465 ± 0.006°
• γ: 90°
• Cell volume: 1616 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.049
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No