Information card for entry 4330143

Structure parameters

• Formula: C21 H19 Cd N5 O9
• Calculated formula: C21 H19 Cd N5 O9
• SMILES: c1ccc2c3c(ccc2)[O]2CC(Nc4cccc5cccnc45)=[O][Cd]42([n]13)([O]=N(=O)O4)(ON(=O)=O)[OH]C
• Title of publication: A Highly Selective Fluorescent Sensor for Distinguishing Cadmium from Zinc Ions Based on a Quinoline Platform
• Authors of publication: Xiaoyan Zhou; Pengxuan Li; Zhaohua Shi; Xiaoliang Tang; Chunyang Chen; Weisheng Liu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 9226 - 9231
• a: 11.795 ± 0.002 Å
• b: 13.266 ± 0.003 Å
• c: 14.913 ± 0.003 Å
• α: 90°
• β: 96.768 ± 0.002°
• γ: 90°
• Cell volume: 2317.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No