Information card for entry 7104116

Structure parameters

• Formula: C47 H62 N8 O4 Zn3
• Calculated formula: C47 H62 N8 O4 Zn3
• 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: 14.6481 ± 0.0003 Å
• b: 18.5359 ± 0.0003 Å
• c: 18.7841 ± 0.0004 Å
• α: 92.2702 ± 0.001°
• β: 98.1488 ± 0.001°
• γ: 94.0181 ± 0.001°
• Cell volume: 5029.93 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No