Information card for entry 4502248

Structure parameters

• Formula: C72 H77 Cu6 N36 O42 P W12
• Calculated formula: C72 H72 Cu6 N36 O42 P 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: 13.9881 ± 0.0008 Å
• b: 14.3592 ± 0.0008 Å
• c: 15.3319 ± 0.0009 Å
• α: 76.415 ± 0.001°
• β: 62.953 ± 0.001°
• γ: 72.604 ± 0.001°
• Cell volume: 2599.5 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No