Information card for entry 4001068

Structure parameters

• Formula: C14 H22 Cd N8 O6 S2
• Calculated formula: C14 H22 Cd N8 O6 S2
• SMILES: NNC(=[S][Cd]12([S]=C(NN)N)(OC(=O)c3n2cccc3)OC(=O)c2n1cccc2)N.O.O
• 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: 19.039 ± 0.004 Å
• b: 8.933 ± 0.0018 Å
• c: 13.876 ± 0.003 Å
• α: 90°
• β: 111.37 ± 0.03°
• γ: 90°
• Cell volume: 2197.7 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.0683
• Goodness-of-fit parameter for all reflections included in the refinement: 0.595
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No