Information card for entry 7213691

Structure parameters

• Formula: C36 H25 Cl3 Er N3 O7
• Calculated formula: C36 H23 Cl3 Er N3 O7
• SMILES: [Er]1234([O]=C(O2)c2ccc(cc2)Cl)([O]=C(O1)c1ccc(cc1)Cl)([n]1c(c2[n]3c(ccc2)c2[n]4cccc2)cccc1)([OH2])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: 8.7004 ± 0.0018 Å
• b: 13.066 ± 0.003 Å
• c: 14.779 ± 0.003 Å
• α: 100.219 ± 0.003°
• β: 97.697 ± 0.003°
• γ: 92.384 ± 0.003°
• Cell volume: 1634.8 ± 0.6 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: 0.0785
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No