Information card for entry 7218273

Structure parameters

• Formula: C66 H44 Cl6 La2 N4 O14
• Calculated formula: C66 H44 Cl6 La2 N4 O14
• SMILES: c1c2ccc[n]3c2c2c(ccc[n]2[La]24563([OH2])([O]=C([O]4[La]34([n]7cccc8ccc9ccc[n]3c9c78)([O]=C([O]24)c2ccc(cc2)Cl)([O]=C(O6)c2ccc(cc2)Cl)(OC(=[O]5)c2ccc(cc2)Cl)(OC(=O)c2ccc(cc2)Cl)[OH2])c2ccc(cc2)Cl)OC(=O)c2ccc(cc2)Cl)c1
• Title of publication: Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes
• Authors of publication: Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 44
• Pages of publication: 10189
• a: 10.0914 ± 0.0005 Å
• b: 12.6143 ± 0.0006 Å
• c: 13.2987 ± 0.0006 Å
• α: 99.312 ± 0.003°
• β: 100.74 ± 0.004°
• γ: 96.354 ± 0.004°
• Cell volume: 1623.89 ± 0.14 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: 0.0508
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0603
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No