Information card for entry 7105650

Structure parameters

• Formula: C7 H10 N2 O2 S
• Calculated formula: C7 H10 N2 O2 S
• SMILES: O.c1(ccccc1O)C(=S)NN
• Title of publication: In situ formation of ligand 2,2'-[(E)-diazene-1,2-diyldicarbonothioyl]diphenol and structural characterization of its binuclear rhodium(V) complex containing RhO2+.
• Authors of publication: Gangopadhyay, Snigdha; Basak, Prodyut; Drew, Michael; Gangopadhyay, Pijush Kanti
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 39
• Pages of publication: 7436 - 7438
• a: 9.2078 ± 0.0004 Å
• b: 7.9309 ± 0.0004 Å
• c: 11.4536 ± 0.0004 Å
• α: 90°
• β: 91.796 ± 0.004°
• γ: 90°
• Cell volume: 836 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0522
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No