Information card for entry 7031398

Structure parameters

• Formula: C20 H16 N6 Zn
• Calculated formula: C20 H16 N6 Zn
• SMILES: [Zn]12([n]3c(N=C4N1C=CC=C4)cccc3)[n]1c(N=C3N2C=CC=C3)cccc1
• Title of publication: Donor-activated alkali metal dipyridylamides: co-complexation reactions with zinc alkyls and reactivity studies with benzophenone.
• Authors of publication: Armstrong, David R.; Brouillet, Etienne V.; Kennedy, Alan R.; Garden, Jennifer A.; Granitzka, Markus; Mulvey, Robert E.; Trivett, Joshua J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14409 - 14423
• a: 22.5759 ± 0.0004 Å
• b: 9.583 ± 0.0002 Å
• c: 16.0729 ± 0.0003 Å
• α: 90°
• β: 99.734 ± 0.002°
• γ: 90°
• Cell volume: 3427.23 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No