Information card for entry 7220576

Structure parameters

• Formula: C20 H14 Cl Cu N3 O
• Calculated formula: C20 H14 Cl Cu N3 O
• SMILES: [Cu]12(Cl)Oc3c(C=[N]1c1c(cccc1)c1[nH]c4c([n]21)cccc4)cccc3
• Title of publication: A water soluble copper(II) complex as a HSO4- ion selective turn-on fluorescent sensor applicable in living cell imaging
• Authors of publication: Chattopadhyay, Pabitra; Sen, Buddhadeb; Mukherjee, Manjira; Pal, Siddhartha; Sen, Supriti
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.0669 ± 0.0001 Å
• b: 10.2015 ± 0.0002 Å
• c: 10.8792 ± 0.0002 Å
• α: 90.425 ± 0.001°
• β: 104.972 ± 0.001°
• γ: 94.357 ± 0.001°
• Cell volume: 862.07 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.054
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No