Information card for entry 7040071

Structure parameters

• Formula: C60 H42 Cu3 Mo12 N6 O40 P
• Calculated formula: C60 H42 Cu3 Mo12 N6 O40 P
• Title of publication: A series of Keggin-based compounds constructed by conjugate ring-rich pyrazine and quinoxaline derivatives.
• Authors of publication: Tian, Aixiang; Tian, Yan; Ning, Yali; Hou, Xue; Ni, Huaiping; Ji, Xuebin; Liu, Guocheng; Ying, Jun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 35
• Pages of publication: 13925 - 13936
• a: 13.2679 ± 0.0006 Å
• b: 13.765 ± 0.0006 Å
• c: 23.3329 ± 0.0011 Å
• α: 79.509 ± 0.001°
• β: 84.731 ± 0.001°
• γ: 88.464 ± 0.001°
• Cell volume: 4172.2 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0847
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No