Information card for entry 4324899

Structure parameters

• Formula: C29 H39 N7 O10 Zn
• Calculated formula: C29 H39 N7 O10 Zn
• SMILES: c12cc(c3c4c(cc(c3)N(C)C)[O](C)[Zn]35([n]24)([N](C1)(Cc1cccc[n]51)Cc1cccc[n]31)ON(=O)=O)OCC(C)C.N(=O)(=O)[O-].O.O
• 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: 8.6084 ± 0.0017 Å
• b: 15.59 ± 0.003 Å
• c: 24.663 ± 0.005 Å
• α: 83.71 ± 0.03°
• β: 89.65 ± 0.03°
• γ: 78.83 ± 0.03°
• Cell volume: 3227.3 ± 1.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No