Information card for entry 4066405

Structure parameters

• Formula: C39 H88 N8 O5 Zn5
• Calculated formula: C39 H88 N8 O5 Zn5
• SMILES: [Zn]12([O]3[Zn]([O]4[Zn]5([O]([Zn]6([O]7[Zn]84([O]1C(C[N]2(C)C)C[N]8(C)C)[N](CC7C[N]6(C)C)(C)C)C)C(C[N]5(C)C)CN(C)C)C)([N](CC3CN(C)C)(C)C)C)C.c1(ccccc1)C
• Title of publication: Structural Study of the Reaction of Methylzinc Amino Alcoholates with Oxygen
• Authors of publication: Hollingsworth, Nathan; Johnson, Andrew L.; Kingsley, Andrew; Kociok-Köhn, Gabriele; Molloy, Kieran C.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 15
• Pages of publication: 3318
• a: 9.8564 ± 0.0001 Å
• b: 20.8362 ± 0.0002 Å
• c: 25.8918 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5317.4 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P b n 21
• Hall space group symbol: P 2c -2ab
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No