Information card for entry 7056286

Structure parameters

• Formula: C10 H11 Cl4 In N2 O
• Calculated formula: C10 H11 Cl4 In N2 O
• SMILES: c1cc(c2cc[nH+]cc2)cc[n]1[In](Cl)([OH2])(Cl)(Cl)Cl
• Title of publication: Multifunctional Indium Complexes with Fluorescent Sensing and Selective Adsorption Dye Properties
• Authors of publication: Zhang, Lijing; Bai, Fengying; Gao, Xue; Du, Ning; Xing, Yong Heng; Sun, Lixian
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 11.882 ± 0.006 Å
• b: 16.042 ± 0.008 Å
• c: 7.377 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1406.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No