Information card for entry 4502249

Structure parameters

• Formula: C28 H28 Cu6 N18 O40 Si W12
• Calculated formula: C28 H28 Cu6 N18 O40 Si W12
• Title of publication: Using Flexible and Rigid Organic Ligands to Tune Topology Structures Based on Keggin Polyoxometalates
• Authors of publication: Tian, Ai-xiang; Ying, Jun; Peng, Jun; Sha, Jing-quan; Su, Zhong-min; Pang, Hai-jun; Zhang, Peng-peng; Chen, Yuan; Zhu, Min; Shen, Yan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 3
• Pages of publication: 1104
• a: 11.382 ± 0.004 Å
• b: 22.063 ± 0.007 Å
• c: 13.442 ± 0.004 Å
• α: 90°
• β: 113.458 ± 0.005°
• γ: 90°
• Cell volume: 3096.6 ± 1.7 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 7
• 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: 0.1089
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No