Information card for entry 2019611

Structure parameters

• Common name: 7057
• Chemical name: Bis[(1,2,3,3a,10a,10b-η)-pyrene]niobium(0)
• Formula: C32 H20 Nb
• Calculated formula: C32 H20 Nb
• 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: 8.5838 ± 0.0012 Å
• b: 9.5974 ± 0.0013 Å
• c: 12.8876 ± 0.0018 Å
• α: 90°
• β: 105.554 ± 0.002°
• γ: 90°
• Cell volume: 1022.8 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes