Information card for entry 7052890

Structure parameters

• Formula: C60 H88 Fe4 Mo12 N4 O40 P
• Calculated formula: C60 H88 Fe4 Mo12 N4 O40 P
• Title of publication: Charge-transfer salts based on Lindqvist and Keggin polyoxoanion acceptors and ferrocenyl cationic donors
• Authors of publication: Xiong, Jun; Niu, Yujuan; Xu, Haisheng; Cao, Guolei; Liu, Bin; Hu, Huaiming; Xue, Ganglin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 5
• Pages of publication: 1224
• a: 12.8828 ± 0.001 Å
• b: 12.9682 ± 0.001 Å
• c: 25.7657 ± 0.0019 Å
• α: 90°
• β: 99.404 ± 0.001°
• γ: 90°
• Cell volume: 4246.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0766
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No