Information card for entry 4515070

Structure parameters

• Formula: C7 H15 Lu N8 O13
• Calculated formula: C7 H15 Lu N8 O13
• Title of publication: Photochromic Lanthanide(III) Materials with Ion Sensing Based on Pyridinium Tetrazolate Zwitterion.
• Authors of publication: Cai, Li-Zhen; Chen, Xiang-Yi; Wang, Ming-Sheng; Guo, Guo-Cong
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 7492 - 7497
• a: 6.46876 ± 0.00014 Å
• b: 10.6226 ± 0.0003 Å
• c: 13.1883 ± 0.0003 Å
• α: 89.9898 ± 0.0019°
• β: 90.8464 ± 0.0017°
• γ: 99.7577 ± 0.0019°
• Cell volume: 893.02 ± 0.04 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No