Information card for entry 2019610

Structure parameters

• Common name: 7018
• Chemical name: Bis[(1,2,3,3a,10a,10b-η)-pyrene]vanadium(0)
• Formula: C32 H20 V
• Calculated formula: C32 H20 V
• Title of publication: Bis(pyrene)metal complexes of vanadium, niobium and titanium: isolable homoleptic pyrene complexes of transition metals
• Authors of publication: Kucera, Benjamin E.; Jilek, Robert E.; Brennessel, William W.; Ellis, John E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• a: 9.4905 ± 0.0008 Å
• b: 9.4969 ± 0.0008 Å
• c: 11.4851 ± 0.001 Å
• α: 90°
• β: 100.306 ± 0.002°
• γ: 90°
• Cell volume: 1018.45 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes