Information card for entry 1543998

Structure parameters

• Formula: C19 H13 Cd N3 O8 S
• Calculated formula: C19 H13 Cd N3 O8 S
• 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: 7.0135 ± 0.0007 Å
• b: 15.6662 ± 0.0015 Å
• c: 17.7329 ± 0.0017 Å
• α: 90°
• β: 95.094 ± 0.001°
• γ: 90°
• Cell volume: 1940.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No