Information card for entry 7054587

Structure parameters

• Formula: C55 H41 Er N2 O6
• Calculated formula: C55 H41 Er N2 O6
• SMILES: [Er]1234([O]=C(C=C(O1)c1ccccc1)c1ccccc1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)([O]=C(C=C(O3)c1ccccc1)c1ccccc1)[n]1ccccc1c1[n]4cccc1
• Title of publication: Slow magnetic relaxation and photoluminescent properties of a highly coordinated erbium(iii) complex with dibenzoylmethane and 2,2′-bipyridine
• Authors of publication: Martín-Ramos, Pablo; Coutinho, Joana T.; Ramos Silva, Manuela; Pereira, Laura C. J.; Lahoz, Fernando; da Silva, Pedro S. Pereira; Lavín, Víctor; Martín-Gil, Jesús
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 1703
• a: 14.9946 ± 0.0006 Å
• b: 17.0429 ± 0.0007 Å
• c: 22.7907 ± 0.0008 Å
• α: 90°
• β: 128.291 ± 0.002°
• γ: 90°
• Cell volume: 4571.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No