Information card for entry 7124298

Structure parameters

• Chemical name: Cluster-2
• Formula: C280 H378 La42 O238
• Calculated formula: C280 H378 La42 O238
• Title of publication: Large Ln42 coordination nanorings: NIR luminescent sensing of metal ions and nitro explosives
• Authors of publication: Shi, Dongliang; Yang, Xiaoping; Chen, Hongfen; Jiang, Dongmei; Liu, Jieni; Ma, Yanan; Schipper, Desmond; Jones, Richard A.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 24.689 ± 0.005 Å
• b: 39.712 ± 0.008 Å
• c: 34.537 ± 0.007 Å
• α: 90°
• β: 109.93 ± 0.03°
• γ: 90°
• Cell volume: 31834 ± 13 ų
• Cell temperature: 190 ± 1 K
• Ambient diffraction temperature: 190 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1048
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No