Information card for entry 7215207

Structure parameters

• Formula: C22 H32 O6 P2
• Calculated formula: C22 H32 O6 P2
• SMILES: P(=O)(Cc1ccc(cc1)c1ccc(cc1)CP(=O)(OCC)OCC)(OCC)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: 15.8384 ± 0.0008 Å
• b: 8.4589 ± 0.0005 Å
• c: 17.7369 ± 0.0011 Å
• α: 90°
• β: 96.493 ± 0.002°
• γ: 90°
• Cell volume: 2361.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1295
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No