Information card for entry 7063320

Structure parameters

• Formula: C17 H16 N4 O S
• Calculated formula: C17 H16 N4 O S
• Title of publication: Facile formation of tetrazole–thiolato Pd(ii) and Pt(ii) complexes through deprotonation or oxidative addition using organic tetrazole–thiones
• Authors of publication: Kwon, Hyoung Soon; Park, Geon Hyeong; Ju, Huiyeong; Lee, Eunji; Kim, Yong-Joo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 13358 - 13372
• a: 12.572 ± 0.005 Å
• b: 8.002 ± 0.002 Å
• c: 16.371 ± 0.005 Å
• α: 90°
• β: 101.725 ± 0.011°
• γ: 90°
• Cell volume: 1612.6 ± 0.9 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.165
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No