Information card for entry 1552303

Structure parameters

• Formula: H18 O34 V10
• Calculated formula: H36 O40 V10
• Title of publication: Core-Dependent Properties of Copper Nanoclusters: Valence-Pure Nanoclusters as NIR TADF Emitters and Mixed-Valence Ones as Semiconductors
• Authors of publication: Zhang, Li-Min; Zhou, Guodong; Zhou, Guoqing; Lee, Hung Kay; Zhao, Ni; Prezhdo, Oleg V.; Mak, Thomas C. W.
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 10.1593 ± 0.0008 Å
• b: 10.295 ± 0.0009 Å
• c: 16.7352 ± 0.0013 Å
• α: 83.426 ± 0.002°
• β: 87.127 ± 0.002°
• γ: 71.045 ± 0.002°
• Cell volume: 1644.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.46 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No