Information card for entry 7227586

Structure parameters

• Formula: C36 H25 Br3 Ho N3 O7
• Calculated formula: C36 H25 Br3 Ho N3 O7
• SMILES: [Ho]1234([OH2])([O]=C(O1)c1ccc(Br)cc1)(OC(=O)c1ccc(Br)cc1)([O]=C(O2)c1ccc(Br)cc1)[n]1ccccc1c1[n]3c(c2[n]4cccc2)ccc1
• 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: 8.7376 ± 0.0015 Å
• b: 13.163 ± 0.002 Å
• c: 15.296 ± 0.003 Å
• α: 103.274 ± 0.002°
• β: 92.763 ± 0.002°
• γ: 92.604 ± 0.002°
• Cell volume: 1707.4 ± 0.5 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: 0.0952
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.919
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No