Information card for entry 7227595

Structure parameters

• Formula: C72 H50 Br6 Eu2 N6 O14
• Calculated formula: C72 H50 Br6 Eu2 N6 O14
• SMILES: c1cccc2c3[n]4[Eu]567([n]12)([O]=C(O6)c1ccc(Br)cc1)([O]=C(O[Eu]1268([n]9ccccc9c9cccc([n]19)c1[n]2cccc1)([O]=C(O6)c1ccc(Br)cc1)([O]=C(O8)c1ccc(Br)cc1)[O]=C(O7)c1ccc(Br)cc1)c1ccc(Br)cc1)([n]1c(c4ccc3)cccc1)[O]=C(O5)c1ccc(Br)cc1.O.O
• 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: 10.9414 ± 0.0016 Å
• b: 12.5871 ± 0.0019 Å
• c: 14.092 ± 0.002 Å
• α: 68.974 ± 0.003°
• β: 88.679 ± 0.004°
• γ: 74.21 ± 0.002°
• Cell volume: 1737.2 ± 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: 0.0675
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No