Information card for entry 7703865

Structure parameters

• Chemical name: dimethyl 2-iodo-[1,1'-biphenyl]-4,4'-dicarboxylate
• Formula: C16 H13 I O4
• Calculated formula: C16 H13 I O4
• SMILES: Ic1c(ccc(c1)C(=O)OC)c1ccc(cc1)C(=O)OC
• Title of publication: Hypervalent organoiodine(v) metal-organic frameworks: syntheses, thermal studies and stoichiometric oxidants.
• Authors of publication: Bryant, Macguire R.; Richardson, Christopher
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 16
• Pages of publication: 5167 - 5174
• a: 7.8767 ± 0.0004 Å
• b: 10.0877 ± 0.0005 Å
• c: 10.6978 ± 0.0005 Å
• α: 105.23 ± 0.004°
• β: 107.161 ± 0.004°
• γ: 102.068 ± 0.004°
• Cell volume: 744.83 ± 0.07 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0217
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No