Information card for entry 7040068

Structure parameters

• Formula: C80 H60 Mo16 N10 O40 Si
• Calculated formula: C80 H60 Mo16 N10 O40 Si
• 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: 17.9317 ± 0.0008 Å
• b: 18.5613 ± 0.0009 Å
• c: 20.1606 ± 0.001 Å
• α: 111.883 ± 0.001°
• β: 94.94 ± 0.001°
• γ: 107.662 ± 0.001°
• Cell volume: 5780.7 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No