Information card for entry 7017256

Structure parameters

• Formula: C54 H48 Cd3 N15 O22.5
• Calculated formula: C54 H47 Cd3 N15 O22.5
• 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: 10.403 ± 0.002 Å
• b: 33.827 ± 0.007 Å
• c: 19.688 ± 0.004 Å
• α: 90°
• β: 92.82 ± 0.03°
• γ: 90°
• Cell volume: 6920 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0733
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1995
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No