Information card for entry 7701227

Structure parameters

• Chemical name: (3,3??,5,5??-Tetramethoxycarbonyl-1,1?:3?,1??-terphen-2?-yl)diethylphosphane oxide deuterotrichloromethane solvate
• Formula: C31 H31 Cl3 D O9 P
• Calculated formula: C30.9999 H31 Cl2.9997 D0.9999 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: 10.6082 ± 0.0004 Å
• b: 12.4315 ± 0.0004 Å
• c: 12.9377 ± 0.0005 Å
• α: 67.364 ± 0.003°
• β: 88.56 ± 0.003°
• γ: 81.914 ± 0.003°
• Cell volume: 1558.3 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No