Information card for entry 4001067

Structure parameters

• Formula: C14 H17 Cd N6 O4.5 S2
• Calculated formula: C14 H17 Cd N6 O4.5 S2
• SMILES: NC(=[S][Cd]12([S]=C(N)N)(OC(=O)c3n2cccc3)OC(=O)c2n1cccc2)N.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: 24.128 ± 0.005 Å
• b: 9.5953 ± 0.0019 Å
• c: 17.986 ± 0.004 Å
• α: 90°
• β: 109.6 ± 0.03°
• γ: 90°
• Cell volume: 3922.8 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No