Information card for entry 7701222

Structure parameters

• Chemical name: (3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)diphenylphosphane oxide 2-chloroform solvate
• Formula: C40 H33 Cl6 O9 P
• Calculated formula: C40.0003 H33.0003 Cl6.0009 O9 P
• Title of publication: A new set of metal-organic frameworks synthesised from diisophthalate-based, 2'-phosphorus-substituted m-terphenyl linker molecules.
• Authors of publication: Stein, Timo; Hoffmann, Frank; Fröba, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 40
• Pages of publication: 15127 - 15135
• a: 10.2413 ± 0.0001 Å
• b: 22.4781 ± 0.0003 Å
• c: 17.7231 ± 0.0002 Å
• α: 90°
• β: 94.459 ± 0.001°
• γ: 90°
• Cell volume: 4067.6 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No