Information card for entry 1544000

Structure parameters

• Formula: C19 H14 N3 O9.5 S Zn
• Calculated formula: C19 H14 N3 O9.5 S Zn
• 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: 8.0802 ± 0.0006 Å
• b: 8.576 ± 0.0007 Å
• c: 15.1231 ± 0.0012 Å
• α: 95.933 ± 0.001°
• β: 92.595 ± 0.001°
• γ: 104.682 ± 0.001°
• Cell volume: 1005.53 ± 0.14 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: 0.0341
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No