Information card for entry 1505979

Structure parameters

• Common name: Bisimadazole copper perchlorate acetone
• Formula: C32 H35 Cl2 Cu N5 O11
• Calculated formula: C32 H35 Cl2 Cu N5 O11
• SMILES: [Cu]12([n]3c(cccc3c3[n]2c(c2ccc(OC)cc2)c(n3C)C)c2[n]1c(c1ccc(OC)cc1)c(n2C)C)[O]=C(C)C.[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.
• Authors of publication: Plante, Jeffrey P.; Glass, Timothy E.
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 2163 - 2166
• a: 9.7166 ± 0.0018 Å
• b: 10.7129 ± 0.0019 Å
• c: 17.105 ± 0.003 Å
• α: 74.833 ± 0.003°
• β: 81.818 ± 0.003°
• γ: 85.861 ± 0.003°
• Cell volume: 1699.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0444
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No