Information card for entry 4338711

Structure parameters

• Formula: C30 H26 N4 S4
• Calculated formula: C30 H26 N4 S4
• SMILES: c1(CSc2ccccn2)c(cc(c(c1)CSc1ccccn1)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: 11.9309 ± 0.0015 Å
• b: 7.5551 ± 0.0006 Å
• c: 16.285 ± 0.007 Å
• α: 90°
• β: 111.4 ± 0.03°
• γ: 90°
• Cell volume: 1366.7 ± 0.7 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 0.922
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No