Information card for entry 7250535

Structure parameters

• Formula: C8 H5 N2 S
• Calculated formula: C8 H5 N2 S
• Title of publication: Synthesis and structural analysis of a ZIF-9/GO composite for green catalytic C–C bond formation and N-formylation: a spectroscopic study
• Authors of publication: Kumari, Lalita; Mittal, Rupali; Khurana, Mehak; Awasthi, Satish Kumar
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 24
• Pages of publication: 19500 - 19514
• a: 5.6969 ± 0.0002 Å
• b: 18.5921 ± 0.0008 Å
• c: 7.4729 ± 0.0003 Å
• α: 90°
• β: 97.589 ± 0.004°
• γ: 90°
• Cell volume: 784.58 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0722
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No