Information card for entry 4324898

Structure parameters

• Formula: C62 H80 Cd3 Cl6 N10 O5
• Calculated formula: C62 H80 Cd3 Cl6 N10 O5
• SMILES: c12cc(c3c4c(cc(c3)N(C)C)[O](C)[Cd]35(Cl)([n]24)[N](C1)(Cc1cccc[n]31)Cc1cccc[n]51)OCC(C)C.c12cc(c3c(c(cc(c3)N(C)C)OC)[n]2[Cd]23(Cl)[N](C1)(Cc1cccc[n]21)Cc1cccc[n]31)OCC(C)C.CCOCC.[Cd](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Ratiometric Fluorescent Sensor Based on Inhibition of Resonance for Detection of Cadmium in Aqueous Solution and Living Cells
• Authors of publication: Lin Xue; Guoping Li; Qing Liu; Huanhuan Wang; Chun Liu; Xunlei Ding; Shenggui He; Hua Jiang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 3680 - 3690
• a: 14.007 ± 0.003 Å
• b: 15.161 ± 0.003 Å
• c: 17.538 ± 0.004 Å
• α: 92.27 ± 0.03°
• β: 110.32 ± 0.03°
• γ: 104.89 ± 0.03°
• Cell volume: 3341 ± 1.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 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: 0.0818
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.2257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No