Information card for entry 7031396

Structure parameters

• Formula: C38 H62 N12 Na2
• Calculated formula: C38 H62 N12 Na2
• SMILES: C[N]1(C)CC[N](C)(CCN(C)C)[Na]2341[N]1(c5cccc[n]25)c2[n](cccc2)[Na]125([N](CC[N]5(C)CCN(C)C)(C)C)[n]1c([N]23c2cccc[n]24)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: 10.3495 ± 0.0013 Å
• b: 11.0583 ± 0.0011 Å
• c: 18.5966 ± 0.0018 Å
• α: 101.113 ± 0.008°
• β: 96.726 ± 0.009°
• γ: 90.084 ± 0.009°
• Cell volume: 2073.4 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2075
• Residual factor for significantly intense reflections: 0.151
• Weighted residual factors for significantly intense reflections: 0.4185
• Weighted residual factors for all reflections included in the refinement: 0.4457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No