Information card for entry 7213694

Structure parameters

• Formula: C36 H25 Cl3 Lu N3 O7
• Calculated formula: C36 H23 Cl3 Lu N3 O7
• SMILES: [Lu]1234([OH2])([O]=C(O1)c1ccc(cc1)Cl)([O]=C(O3)c1ccc(Cl)cc1)([n]1c(cccc1)c1[n]2c(ccc1)c1[n]4cccc1)OC(=O)c1ccc(Cl)cc1
• Title of publication: A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior
• Authors of publication: Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L.
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 1873
• a: 8.701 ± 0.0008 Å
• b: 13.0007 ± 0.0012 Å
• c: 14.7847 ± 0.0014 Å
• α: 100.22 ± 0.002°
• β: 97.514 ± 0.002°
• γ: 92.537 ± 0.002°
• Cell volume: 1627.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No