Information card for entry 7703579

Structure parameters

• Formula: C67 H101 N10 O62 Si W12 Yb
• Calculated formula: C67 H101 N10 O62 Si W12 Yb
• Title of publication: Polyoxometalate-based room-temperature phosphorescent materials induced by anion-π interactions.
• Authors of publication: Wu, Xiao-Yuan; Zhang, Hai-Long; Wang, Sa-Sa; Wu, Weiming; Lin, Lang; Jiang, Xiao-Yu; Lu, Can-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 3408 - 3412
• a: 13.4362 ± 0.0003 Å
• b: 20.3814 ± 0.0004 Å
• c: 20.9477 ± 0.0005 Å
• α: 62.544 ± 0.002°
• β: 88.5082 ± 0.0018°
• γ: 88.3316 ± 0.0017°
• Cell volume: 5087.7 ± 0.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No