Information card for entry 4338712

Structure parameters

• Formula: C30 H26 N4 S4
• Calculated formula: C30 H26 N4 S4
• SMILES: c1(CSc2ccccn2)cc(c(cc1CSc1ccccn1)CSc1ccccn1)CSc1ccccn1
• 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: 8.453 ± 0.0012 Å
• b: 8.8025 ± 0.0015 Å
• c: 11.204 ± 0.004 Å
• α: 73.4 ± 0.02°
• β: 68.06 ± 0.02°
• γ: 63.15 ± 0.016°
• Cell volume: 683 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No