Information card for entry 4001069

Structure parameters

• Formula: C9 H11 Cd N5 O4 S2
• Calculated formula: C9 H11 Cd N5 O4 S2
• SMILES: NC(=[S][Cd]12([S]=C(N)N)OC(=O)c3n2c(C(=O)O1)ccc3)N
• Title of publication: Molecular Precursors for CdS Nanoparticles: Synthesis and Characterization of Carboxylate−Thiourea or −Thiosemicarbazide Cadmium Complexes and Their Decomposition
• Authors of publication: Mandal, Trinanjana; Stavila, Vitalie; Rusakova, Irene; Ghosh, Saunab; Whitmire, Kenton H.
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 5617
• a: 9.2018 ± 0.0009 Å
• b: 9.991 ± 0.001 Å
• c: 15.9863 ± 0.0015 Å
• α: 80.069 ± 0.002°
• β: 82.155 ± 0.002°
• γ: 88.526 ± 0.002°
• Cell volume: 1434.1 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0592
• Goodness-of-fit parameter for all reflections included in the refinement: 0.422
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No