Information card for entry 7227576

Structure parameters

• Formula: C36 H25 I3 N3 O7 Y
• Calculated formula: C36 H25 I3 N3 O7 Y
• SMILES: c1(ccc(C(=O)O[Y]2345([O]=[C](c6ccc(cc6)I)O4)([O]=C(c4ccc(cc4)I)O5)([n]4ccccc4c4cccc(c5cccc[n]35)[n]24)[OH2])cc1)I
• 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: 8.7799 ± 0.0004 Å
• b: 13.563 ± 0.0006 Å
• c: 15.5082 ± 0.0007 Å
• α: 103.533 ± 0.002°
• β: 91.262 ± 0.001°
• γ: 93.551 ± 0.001°
• Cell volume: 1790.75 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0417
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.0597
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No