Information card for entry 1543997

Structure parameters

• Formula: C38 H44 Cd3 N6 O26 S2
• Calculated formula: C38 H40 Cd3 N6 O26 S2
• Title of publication: Divalent metal sulfoisophthalate coordination polymers with isomeric pyridylnicotinamide coligands
• Authors of publication: Peter E. Kraft; Jessica E. Mizzi; Robert L. LaDuc
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 449 - 457
• a: 10.0914 ± 0.0015 Å
• b: 10.0967 ± 0.0014 Å
• c: 14.241 ± 0.002 Å
• α: 85.157 ± 0.003°
• β: 72.356 ± 0.002°
• γ: 60.693 ± 0.003°
• Cell volume: 1202.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0371
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No