Information card for entry 7227072

Structure parameters

• Formula: C37 H22 Br Cu F30 Gd N3 O13
• Calculated formula: C37 H22 Br Cu F30 Gd N3 O13
• SMILES: [Gd]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]=[N]1C(C(N(=O)=C1c1c[n]([Cu]24([O]=C(C=C(O2)C(F)(F)F)C(F)(F)F)[O]=C(C(F)(F)F)C=C(O4)C(F)(F)F)cc(Br)c1)(C)C)(C)C)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)[OH2]
• Title of publication: Cu–Ln compounds based on nitronyl nitroxide radicals: synthesis, structure, and magnetic and fluorescence properties
• Authors of publication: Yang, Meng; Sun, Juan; Guo, Jianni; Sun, Guifang; Li, Licun
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 48
• Pages of publication: 9345
• a: 11.73 ± 0.0008 Å
• b: 14.9975 ± 0.0013 Å
• c: 16.8333 ± 0.0013 Å
• α: 82.081 ± 0.005°
• β: 71.866 ± 0.004°
• γ: 79.621 ± 0.005°
• Cell volume: 2757.6 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No