Information card for entry 7245516

Structure parameters

• Chemical name: 3
• Formula: C48 H62 Gd N5 O16 P2
• Calculated formula: C48 H62 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: 10.0234 ± 0.0008 Å
• b: 11.1948 ± 0.0009 Å
• c: 13.8853 ± 0.0011 Å
• α: 112.863 ± 0.003°
• β: 91.382 ± 0.003°
• γ: 111.73 ± 0.003°
• Cell volume: 1307.71 ± 0.19 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No