Information card for entry 7227569

Structure parameters

• Formula: C36 H25 I3 N3 O7 Yb
• Calculated formula: C36 H25 I3 N3 O7 Yb
• SMILES: [Yb]1234(OC(=O)c5ccc(I)cc5)([O]=C(O1)c1ccc(I)cc1)([OH2])([O]=C(O2)c1ccc(I)cc1)[n]1c(c2[n]4cccc2)cccc1c1[n]3cccc1
• Title of publication: RE-p-halobenzoic acid‒terpyridine complexes, part III: structural and supramolecular trends in a series of p-iodobenzoic acid rare-earth hybrid materials
• Authors of publication: August Ridenour, J.; Carter, Korey P.; Cahill, Christopher L.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 1190
• a: 8.7843 ± 0.0005 Å
• b: 13.5206 ± 0.0007 Å
• c: 15.4808 ± 0.0008 Å
• α: 103.471 ± 0.001°
• β: 91.197 ± 0.0011°
• γ: 93.745 ± 0.0012°
• Cell volume: 1783 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0404
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0785
• 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: No
• Has Fobs: No