Information card for entry 7104117

Structure parameters

• Formula: C48 H54 N12 O Zn4
• Calculated formula: C48 H54 N12 O Zn4
• SMILES: c1ccc2n1[Zn]1([N]3=C2CCC3)[N]2CCCC=2c2n(ccc2)[Zn]2(n3cccc3C3=[N]2CCC3)[O]21[Zn]1(n3cccc3C3CCC[N]1=3)[N]1CCCC=1c1n(ccc1)[Zn]12n2cccc2C2=[N]1CCC2
• Title of publication: Oxygenation of alkylzinc complexes with pyrrolylketiminate ligand: access to alkylperoxide versus oxo-encapsulated complexes.
• Authors of publication: Lewiński, Janusz; Suwała, Karolina; Kaczorowski, Tomasz; Gałezowski, Michał; Gryko, Daniel T; Justyniak, Iwona; Lipkowski, Janusz
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 215 - 217
• a: 22.187 ± 0.0013 Å
• b: 17.131 ± 0.0012 Å
• c: 19.383 ± 0.0012 Å
• α: 90°
• β: 122.651 ± 0.003°
• γ: 90°
• Cell volume: 6203 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No