Information card for entry 7213682

Structure parameters

• Formula: C72 H50 Cl6 N6 Nd2 O14
• Calculated formula: C72 H46 Cl6 N6 Nd2 O14
• SMILES: c1cccc2c3[n]4c(c5cccc[n]5[Nd]564([n]12)([O]=C(O5)c1ccc(cc1)Cl)(OC(=O)c1ccc(cc1)Cl)([O]=C(c1ccc(cc1)Cl)O[Nd]124([n]5ccccc5c5cccc([n]15)c1[n]2cccc1)([O]=C(O4)c1ccc(cc1)Cl)(OC(=O)c1ccc(cc1)Cl)([O]=C(O6)c1ccc(cc1)Cl)[OH2])[OH2])ccc3
• 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: 9.8762 ± 0.0014 Å
• b: 13.3762 ± 0.0019 Å
• c: 13.76 ± 0.002 Å
• α: 85.263 ± 0.002°
• β: 85.703 ± 0.002°
• γ: 71.627 ± 0.002°
• Cell volume: 1716.9 ± 0.4 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: 0.0615
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No