Information card for entry 4346178

Structure parameters

• Formula: C46 H41 Cd2 Cl5 N6 O4 S
• Calculated formula: C46 H41 Cd2 Cl5 N6 O4 S
• SMILES: [Cd]1234(Cl)[n]5c(sc6c5cccc6)c5ccc6cccc(c6[n]45)[O]3CC(=O)N2N=C(c2ccccc2c2c3c([o+]c4cc(ccc24)N(CC)CC)cc(cc3)N(CC)CC)O1.[Cd](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Cd(2+) Triggered the FRET "ON": A New Molecular Switch for the Ratiometric Detection of Cd(2+) with Live-Cell Imaging and Bound X-ray Structure.
• Authors of publication: Aich, Krishnendu; Goswami, Shyamaprosad; Das, Sangita; Mukhopadhyay, Chitrangada Das; Quah, Ching Kheng; Fun, Hoong-Kun
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7309 - 7315
• a: 12.376 ± 0.003 Å
• b: 14.329 ± 0.004 Å
• c: 14.985 ± 0.004 Å
• α: 103.165 ± 0.003°
• β: 106.203 ± 0.003°
• γ: 108.041 ± 0.003°
• Cell volume: 2278.2 ± 1 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1886
• Weighted residual factors for all reflections included in the refinement: 0.2151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No