Information card for entry 7032031

Structure parameters

• Formula: C13 H13 Cd N7 O8 S2
• Calculated formula: C13 H13 Cd N7 O8 S2
• SMILES: C1CSC(N1)=[N]1C(=O)c2cccc3C(=O)[N](=C4NCCS4)[Cd]451([n]23)(ON(=O)=[O]4)ON(=O)=[O]5
• Title of publication: Mononuclear complexes of amide-based ligands containing appended functional groups: role of secondary coordination spheres on catalysis.
• Authors of publication: Bansal, Deepak; Kumar, Gulshan; Hundal, Geeta; Gupta, Rajeev
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14865 - 14875
• a: 18.417 ± 0.004 Å
• b: 12.981 ± 0.005 Å
• c: 8.292 ± 0.004 Å
• α: 90°
• β: 105.024 ± 0.003°
• γ: 90°
• Cell volume: 1914.6 ± 1.3 ų
• Cell temperature: 293 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No