Information card for entry 7227588

Structure parameters

• Formula: C36 H25 Br3 Dy N3 O7
• Calculated formula: C36 H25 Br3 Dy N3 O7
• SMILES: c1cccc2c3cccc4c5cccc[n]5[Dy]56([O]=C(c7ccc(cc7)Br)O5)([O]=C(c5ccc(cc5)Br)O6)([n]12)([n]34)(OC(=O)c1ccc(cc1)Br)[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: 8.7618 ± 0.0006 Å
• b: 13.223 ± 0.0009 Å
• c: 15.3537 ± 0.0011 Å
• α: 103.268 ± 0.001°
• β: 92.804 ± 0.0008°
• γ: 92.564 ± 0.001°
• Cell volume: 1726.4 ± 0.2 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: 0.0874
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No