Information card for entry 4066402

Structure parameters

• Formula: C18 H46 N4 O4 Zn3
• Calculated formula: C18 H46 N4 O4 Zn3
• SMILES: [Zn@@]12([O]3[Zn@]([O]([Zn@]4([O]1[C@@H](C[N]4(C)C)CN(C)C)C)OC)([N](C[C@@H]3C[N]2(C)C)(C)C)C)C.[Zn@]12([O]3[Zn@@]([O]([Zn@@]4([O]1[C@H](C[N]4(C)C)CN(C)C)C)OC)([N](C[C@H]3C[N]2(C)C)(C)C)C)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: 8.2358 ± 0.0001 Å
• b: 20.3 ± 0.0003 Å
• c: 16.5998 ± 0.0003 Å
• α: 90°
• β: 97.066 ± 0.001°
• γ: 90°
• Cell volume: 2754.19 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No