Information card for entry 7709307

Structure parameters

• Formula: C245.78 H168.66 N36 O39.78 S1.57 Zn12
• Calculated formula: C245.778 H168.666 N36 O39.778 S1.572 Zn12
• Title of publication: Idiosyncatic recognition of Zn²⁺ and CN^- using pyrazolyl-hydroxy-coumarin scaffold and live cell imaging: depiction of luminescent Zn(II)-metallocryptand.
• Authors of publication: Paul, Sukanya; Maity, Suvendu; Halder, Satyajit; Dutta, Basudeb; Jana, Srikanta; Jana, Kuladip; Sinha, Chittaranjan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 3198 - 3212
• a: 17.5384 ± 0.0014 Å
• b: 17.6613 ± 0.0012 Å
• c: 24.5865 ± 0.0016 Å
• α: 97.163 ± 0.002°
• β: 100.276 ± 0.002°
• γ: 106.205 ± 0.002°
• Cell volume: 7072.1 ± 0.9 ų
• Cell temperature: 100.4 K
• Ambient diffraction temperature: 100.4 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: 0.1108
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1451
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No