Information card for entry 8106672

Structure parameters

• Formula: C27 H33 Co Mo4 N21 O19
• Calculated formula: C27 H33 Co Mo4 N21 O19
• Title of publication: Crystal structure of diaqua-bis(5′-(pyridin-1-ium-4-yl)-1H-[3,3′-bi(1,2,4-triazol)]-2′-ide-κ2 N,N′)cobalt(II) — bis(5-(pyridin-4-yl-κN)-1H,1′H-3,3′-bi(1,2,4-triazole))octamolybdate – water (2/1/8), C27H33CoMo4N21O19
• Authors of publication: Huang, Shan-Xiu; Zhang, Lan-He; Ma, Ming-Jie; Dan, Zhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 769 - 771
• a: 12.12 ± 0.0006 Å
• b: 13.0412 ± 0.0006 Å
• c: 15.7235 ± 0.0007 Å
• α: 103.8 ± 0.001°
• β: 98.427 ± 0.001°
• γ: 110.278 ± 0.001°
• Cell volume: 2191.08 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0445
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No