Information card for entry 7227581

Structure parameters

• Formula: C36 H25 Br3 N3 O7 Yb
• Calculated formula: C36 H25 Br3 N3 O7 Yb
• SMILES: c1ccc[n]2c1c1cccc3c4cccc[n]4[Yb]452(OC(=O)c2ccc(cc2)Br)([OH2])([O]=C(c2ccc(cc2)Br)O5)([O]=C(c2ccc(cc2)Br)O4)[n]13
• 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: 8.683 ± 0.0013 Å
• b: 13.052 ± 0.0019 Å
• c: 15.223 ± 0.002 Å
• α: 102.793 ± 0.002°
• β: 93.301 ± 0.002°
• γ: 92.394 ± 0.002°
• Cell volume: 1677 ± 0.4 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: 0.0289
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No