Information card for entry 7227561

Structure parameters

• Formula: C72 H50 Ce2 I6 N6 O14
• Calculated formula: C72 H50 Ce2 I6 N6 O14
• SMILES: c1cccc2c3cccc4[n]3[Ce]35([n]12)([O]=C(O3)c1ccc(I)cc1)([O]=C(O[Ce]123([n]6ccccc6c6cccc([n]16)c1[n]2cccc1)(OC(=O)c1ccc(I)cc1)([O]=C(O3)c1ccc(I)cc1)([O]=C(O5)c1ccc(I)cc1)[OH2])c1ccc(I)cc1)([n]1c4cccc1)(OC(=O)c1ccc(I)cc1)[OH2]
• 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: 14.247 ± 0.0011 Å
• b: 25.523 ± 0.002 Å
• c: 10.3649 ± 0.0008 Å
• α: 90°
• β: 93.3 ± 0.0009°
• γ: 90°
• Cell volume: 3762.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No