Information card for entry 8106632

Structure parameters

• Formula: C8 H6 Mo2 N8 O6
• Calculated formula: C8 H6 Mo2 N8 O6
• Title of publication: Crystal structure of catena-poly[di-(μ3-oxido-κ3 O:O:O)-tetraoxido-(μ2-5′-(pyrazin-2-yl)-1H,2′H-3,3′-bi(1,2,4-triazole)-κ2 N:N′)dimolybdenum(VI)], C8H6Mo2N8O6
• Authors of publication: Zhang, Lei; Nie, Cong-Kui; Zhao, Dan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 4
• Pages of publication: 655 - 656
• a: 7.3053 ± 0.0007 Å
• b: 8.7683 ± 0.0009 Å
• c: 11.615 ± 0.0012 Å
• α: 87.578 ± 0.002°
• β: 74.49 ± 0.002°
• γ: 71.912 ± 0.002°
• Cell volume: 680.8 ± 0.12 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No