Information card for entry 7000786

Structure parameters

• Formula: C22 H36 Cd N6 O10 S4
• Calculated formula: C22 H36 Cd N6 O10 S4
• SMILES: C1N(CCOC1)C1CC(N2CCOCC2)=[S][Cd]2([S]=1)(ON(=O)=O)(ON(=O)=O)[S]=C(CC(N1CCOCC1)=[S]2)N1CCOCC1
• Title of publication: The synthesis and structure of a cadmium complex of dimorpholinodithioacetylacetonate and its use as single source precursor for CdS thin films or nanorods
• Authors of publication: Ramasamy, Karthik; Malik, Mohammad A.; O'Brien, Paul; Raftery, James
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 12
• Pages of publication: 2196 - 2200
• a: 8.564 ± 0.002 Å
• b: 9.404 ± 0.002 Å
• c: 10.519 ± 0.003 Å
• α: 97.48 ± 0.004°
• β: 112.429 ± 0.003°
• γ: 100.832 ± 0.004°
• Cell volume: 749.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No