Information card for entry 1505980

Structure parameters

• Common name: BisimidazoleCupperpyridineperchlorate
• Formula: C37 H42 Cl2 Cu N6 O12
• Calculated formula: C37 H40 Cl2 Cu N6 O12
• SMILES: [Cu]12([n]3c(c4[n]2c(c2ccc(OC)cc2)c(n4C)C)cccc3c2[n]1c(c1ccc(OC)cc1)c(n2C)C)[n]1ccccc1.Cl(=O)(=O)(=O)[O-].O=C(C)C.Cl(=O)(=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: 10.84 ± 0.003 Å
• b: 33.593 ± 0.009 Å
• c: 10.848 ± 0.003 Å
• α: 90°
• β: 93.378 ± 0.005°
• γ: 90°
• Cell volume: 3943.4 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No