Information card for entry 7213695

Structure parameters

• Formula: C36 H25 Cl3 N3 O7 Y
• Calculated formula: C36 H25 Cl3 N3 O7 Y
• SMILES: [Y]1234([O]=C(O1)c1ccc(Cl)cc1)([O]=C(O2)c1ccc(Cl)cc1)(OC(=O)c1ccc(Cl)cc1)([OH2])[n]1c(c2[n]3cccc2)cccc1c1[n]4cccc1
• 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: 8.706 ± 0.003 Å
• b: 13.108 ± 0.005 Å
• c: 14.788 ± 0.005 Å
• α: 100.278 ± 0.006°
• β: 97.723 ± 0.006°
• γ: 92.392 ± 0.006°
• Cell volume: 1641.7 ± 1 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: 0.1085
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No