Information card for entry 7046754

Structure parameters

• Formula: C24 H20 N6 O3 S2
• Calculated formula: C24 H20 N6 O3 S2
• Title of publication: Detection of sulfide ion and gaseous H₂S using a series of pyridine-2,6-dicarboxamide based scaffolds.
• Authors of publication: Kumar, Pramod; Kumar, Vijay; Pandey, Saurabh; Gupta, Rajeev
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 28
• Pages of publication: 9536 - 9545
• a: 21.6495 ± 0.0007 Å
• b: 7.3556 ± 0.0003 Å
• c: 30.0659 ± 0.0009 Å
• α: 90°
• β: 103.501 ± 0.003°
• γ: 90°
• Cell volume: 4655.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0537
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No