Information card for entry 4338713

Structure parameters

• Formula: C30 H30 N8 O12 S4
• Calculated formula: C30 H30 N8 O12 S4
• SMILES: C(c1c(CSc2cccc[nH+]2)cc(CSc2cccc[nH+]2)c(c1)CSc1cccc[nH+]1)Sc1cccc[nH+]1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Responsive Nature of 1,2,4,5-Tetrakis(2-pyridylthiomethyl)benzene Toward Group 12 Metal Nitrates: Activity of Coordinated Nitrate in Metal Complexes.
• Authors of publication: Neeru,; Yadav, Dolly; Tiwari, Geeta; Singh, Jai Deo; Butcher, Raymond J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 5887 - 5889
• a: 14.412 ± 0.003 Å
• b: 13.58 ± 0.002 Å
• c: 18.015 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3525.8 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1398
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No