Information card for entry 4349263

Structure parameters

• Formula: C18 H15 Cd N3 O2 S3
• Calculated formula: C18 H15 Cd N3 O2 S3
• SMILES: [Cd]1234([n]5c(SC1(Sc1cccc[n]31)Sc1[n]2cccc1)cccc5)[O]=C(C)O4
• Title of publication: Cadmium Compounds with an [N₃C] Atrane Motif: Evidence for the Generation of a Cadmium Hydride Species.
• Authors of publication: Chakrabarti, Neena; Ruccolo, Serge; Parkin, Gerard
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 23
• Pages of publication: 12105 - 12109
• a: 8.801 ± 0.003 Å
• b: 15.225 ± 0.006 Å
• c: 14.604 ± 0.006 Å
• α: 90°
• β: 99.722 ± 0.007°
• γ: 90°
• Cell volume: 1928.8 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1857
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No