Information card for entry 7017255

Structure parameters

• Formula: C13 H12 Cd N3 O6 S0.5
• Calculated formula: C13 H12 Cd N3 O6 S0.5
• Title of publication: Self-assembled metallo-macrocycle based coordination polymers with unsymmetrical amide ligands.
• Authors of publication: Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 45
• Pages of publication: 12374 - 12380
• a: 11.5605 ± 0.0011 Å
• b: 19.9973 ± 0.0012 Å
• c: 19.0547 ± 0.0013 Å
• α: 90°
• β: 103.352 ± 0.009°
• γ: 90°
• Cell volume: 4286 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1819
• Residual factor for significantly intense reflections: 0.1094
• Weighted residual factors for significantly intense reflections: 0.2719
• Weighted residual factors for all reflections included in the refinement: 0.2909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No