Information card for entry 7227582

Structure parameters

• Formula: C36 H25 Br3 N3 O7 Tb
• Calculated formula: C36 H25 Br3 N3 O7 Tb
• SMILES: C(=O)(c1ccc(cc1)Br)O[Tb]1234([O]=C(c5ccc(cc5)Br)O4)([O]=C(c4ccc(cc4)Br)O3)([n]3ccccc3c3cccc(c4cccc[n]24)[n]13)[OH2]
• Title of publication: RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials
• Authors of publication: Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 8
• Pages of publication: 1172
• a: 8.7587 ± 0.0003 Å
• b: 13.2478 ± 0.0005 Å
• c: 15.3694 ± 0.0006 Å
• α: 103.332 ± 0.001°
• β: 92.802 ± 0.001°
• γ: 92.495 ± 0.0011°
• Cell volume: 1730.47 ± 0.11 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: 0.048
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No