Information card for entry 4328056

Structure parameters

• Formula: C24 H27 Hg N3 O6 Se3
• Calculated formula: C24 H27 Hg N3 O6 Se3
• SMILES: c1(ccccc1)[Se]1CC[N]23CC[Se](c4ccccc4)[Hg]13(ON(=O)=O)[Se](c1ccccc1)CC2.N(=O)(=O)[O-]
• Title of publication: An Organoselenium-Based Highly Sensitive and Selective Fluorescent "Turn-On" Probe for the Hg2+ Ion
• Authors of publication: Abhishek Kumar; Jai Deo Singh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 772 - 774
• a: 8.66 ± 0.0011 Å
• b: 10.7859 ± 0.0014 Å
• c: 29.91 ± 0.004 Å
• α: 90°
• β: 97.534 ± 0.002°
• γ: 90°
• Cell volume: 2769.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No