Information card for entry 7107849

Structure parameters

• Formula: C72 H56 Cu5 N24 O46 P W12
• Calculated formula: C72 H56 Cu5 N24 O46 P W12
• Title of publication: Copper based metal-organic molecular ring with inserted Keggin-type polyoxometalate: a stable photofunctional host-guest molecular system
• Authors of publication: Zhiyong Fu; Yu Zeng; Xiaoling Liu; Desheng Song; Shijun Liao; Jingcao Dai
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6154
• a: 13.568 ± 0.003 Å
• b: 13.626 ± 0.003 Å
• c: 16.085 ± 0.003 Å
• α: 113.293 ± 0.003°
• β: 93.737 ± 0.003°
• γ: 113.824 ± 0.003°
• Cell volume: 2407.5 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0665
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No