Information card for entry 7227070

Structure parameters

• Formula: C49 H35 Br2 Cu F30 Gd N6 O14
• Calculated formula: C49 H35 Br2 Cu F30 Gd N6 O14
• 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: 27.622 ± 0.006 Å
• b: 10.446 ± 0.002 Å
• c: 23.476 ± 0.005 Å
• α: 90°
• β: 107.661 ± 0.003°
• γ: 90°
• Cell volume: 6454 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No