Information card for entry 7215206

Structure parameters

• Formula: C18 H24 O6 P2
• Calculated formula: C18 H24 O6 P2
• SMILES: OP(=O)(Cc1ccc(c2ccc(cc2)CP(=O)(O)OCC)cc1)OCC
• 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: 7.6515 ± 0.0002 Å
• b: 8.0147 ± 0.0002 Å
• c: 9.3307 ± 0.0002 Å
• α: 71.162 ± 0.002°
• β: 67.62 ± 0.002°
• γ: 84.036 ± 0.002°
• Cell volume: 500.64 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0854
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No