Information card for entry 7227568

Structure parameters

• Formula: C36 H25 I3 Lu N3 O7
• Calculated formula: C36 H25 I3 Lu N3 O7
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Lu]56([O]=C(c7ccc(cc7)I)O5)([O]=C(c5ccc(cc5)I)O6)([n]12)([n]34)(OC(=O)c1ccc(cc1)I)[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: 8.79 ± 0.0013 Å
• b: 13.516 ± 0.002 Å
• c: 15.488 ± 0.002 Å
• α: 103.43 ± 0.003°
• β: 91.225 ± 0.002°
• γ: 93.761 ± 0.002°
• Cell volume: 1784.6 ± 0.4 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: 0.0318
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No