Information card for entry 7215203

Structure parameters

• Formula: C33 H34 Cd N6 O8 P2
• Calculated formula: C33 H34 Cd N6 O8 P2
• Title of publication: Metal‒organic frameworks with improved moisture stability based on a phosphonate monoester: effect of auxiliary N-donor ligands on framework dimensionality
• Authors of publication: Zhang, Jian-Wei; Zhao, Cui-Cui; Zhao, Yin-Ping; Xu, Hai-Qun; Du, Zi-Yi; Jiang, Hai-Long
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 29
• Pages of publication: 6635
• a: 21.757 ± 0.0003 Å
• b: 14.2474 ± 0.0002 Å
• c: 14.6058 ± 0.0002 Å
• α: 90°
• β: 118.16 ± 0.001°
• γ: 90°
• Cell volume: 3991.61 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No