Information card for entry 7213683

Structure parameters

• Formula: C72 H50 Cl6 N6 O14 Sm2
• Calculated formula: C72 H50 Cl6 N6 O14 Sm2
• SMILES: c1cccc2c3[n]4[Sm]56([n]12)(OC(=O)c1ccc(cc1)Cl)([O]=C(O[Sm]127([n]8ccccc8c8cccc([n]18)c1[n]2cccc1)(OC(=[O]7)c1ccc(cc1)Cl)(OC(=O)c1ccc(cc1)Cl)([O]=C(O6)c1ccc(cc1)Cl)[OH2])c1ccc(cc1)Cl)([n]1c(c4ccc3)cccc1)(OC(=[O]5)c1ccc(cc1)Cl)[OH2]
• 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: 9.87 ± 0.004 Å
• b: 13.299 ± 0.005 Å
• c: 13.741 ± 0.005 Å
• α: 85.436 ± 0.006°
• β: 85.671 ± 0.005°
• γ: 71.838 ± 0.005°
• Cell volume: 1705.9 ± 1.1 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: 0.0801
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1245
• 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