Information card for entry 7227558

Structure parameters

• Formula: C72 H50 I6 La2 N6 O14
• Calculated formula: C72 H50 I6 La2 N6 O14
• SMILES: c1cccc2c3cccc4[n]3[La]35([n]12)([O]=C(O[La]126([n]7ccccc7c7cccc([n]17)c1[n]2cccc1)(OC(=O)c1ccc(I)cc1)([O]=C(O6)c1ccc(I)cc1)([O]=C(O5)c1ccc(I)cc1)[OH2])c1ccc(I)cc1)([n]1c4cccc1)(OC(=O)c1ccc(I)cc1)([O]=C(O3)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: 14.2221 ± 0.0006 Å
• b: 25.5903 ± 0.001 Å
• c: 10.381 ± 0.0004 Å
• α: 90°
• β: 93.552 ± 0.0011°
• γ: 90°
• Cell volume: 3770.9 ± 0.3 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: 0.076
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No