Information card for entry 7245513

Structure parameters

• Chemical name: 2
• Formula: C44 H54 Gd N5 O16 P2
• Calculated formula: C44 H54 Gd N5 O16 P2
• Title of publication: Photoresponsive gadolinium–anthracene complexes: tuning the orientation and π–π stacking of anthracene groups via alkyl ester substituents of phosphonate ligands
• Authors of publication: Huang, Xin-Da; Sun, Guo-Bin; Chen, Yi-Qing; Wen, Ge-Hua; Bao, Song-Song; Zheng, Li-Min
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 11.555 ± 0.007 Å
• b: 19.054 ± 0.012 Å
• c: 23.235 ± 0.016 Å
• α: 90°
• β: 96.281 ± 0.014°
• γ: 90°
• Cell volume: 5085 ± 6 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• 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: 0.0775
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No