Information card for entry 2019495

Structure parameters

• Chemical name: Dichlorido[3-methyl-6-[6-(6-methyl-2,3-dihydro-1,2,4,5-tetrazin-3-yl-\ κ<i>N</i>^4^)pyridin-2-yl-κ<i>N</i>]-1,4-dihydro-1,2,4,5-tetrazin-1-\ yl-κ<i>N</i>^1^]oxidovanadium(IV)
• Formula: C16 H17.5 Cl2 N11.5 O V
• Calculated formula: C16 H17.5 Cl2 N11.5 O V
• Title of publication: A tale of hydrogen abstraction, initially detected <i>via</i> X-ray diffraction
• Authors of publication: Hui, Alice K.; Chen, Chun-Hsing; Terwilliger, Adam M.; Lord, Richard L.; Caulton, Kenneth G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: 250 - 255
• a: 8.1651 ± 0.0005 Å
• b: 23.7109 ± 0.0014 Å
• c: 11.8159 ± 0.0007 Å
• α: 90°
• β: 94.801 ± 0.001°
• γ: 90°
• Cell volume: 2279.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0484
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes