Information card for entry 2022572

Structure parameters

• Chemical name: Poly[[triaqua(μ~4~-(2<i>R</i>,2'<i>R</i>)-2,2'-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionato-κ^7^<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^4^:<i>O</i>^4^,<i>O</i>^4'^,<i>O</i>^4''^)(μ~3~-(2<i>R</i>,2'<i>R</i>)-2,2'-{[1,4-phenylenebis(carbonyl)]bis(azanediyl)}dipropionato-κ^3^<i>O</i>^1^:<i>O</i>^4^:<i>O</i>^4^)dicadmium(II)] dihydrate]
• Formula: C28 H38 Cd2 N4 O17
• Calculated formula: C28 H38 Cd2 N4 O17
• Title of publication: A new three-dimensional twofold interpenetrated cadmium(II) metal–organic framework: synthesis, structure and photoluminescence properties
• Authors of publication: Zhang, Hong-Tao; Wang, Xiao-Long
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 11
• Pages of publication: 691 - 697
• a: 13.8013 ± 0.0008 Å
• b: 14.5077 ± 0.0008 Å
• c: 17.1208 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3428 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0213
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes