Information card for entry 7032029

Structure parameters

• Formula: C27 H18 Cd2 N13 O14 S4
• Calculated formula: C27 H18 Cd2 N13 O14 S4
• 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: 8.983 ± 0.003 Å
• b: 9.998 ± 0.005 Å
• c: 11.87 ± 0.004 Å
• α: 114.861 ± 0.004°
• β: 98.299 ± 0.002°
• γ: 95.304 ± 0.005°
• Cell volume: 943.1 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0897
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No