Information card for entry 7210500

Structure parameters

• Formula: C21 H14 Cd N4 O5
• Calculated formula: C21 H14 Cd N4 O5
• Title of publication: Substituent effect of R-isophthalates (R = ‒H, ‒CH3, ‒OCH3, ‒tBu, ‒OH, and ‒NO2) on the construction of CdII coordination polymers incorporating a dipyridyl tecton 2,5-bis(3-pyridyl)-1,3,4-oxadiazole
• Authors of publication: Chen, Jing; Li, Cheng-Peng; Du, Miao
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 1885
• a: 29.7088 ± 0.001 Å
• b: 29.7088 ± 0.001 Å
• c: 10.3135 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9102.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No