Information card for entry 7014729

Structure parameters

• Formula: C36 H88 N6 O6 Zn5
• Calculated formula: C36 H88 N6 O6 Zn5
• SMILES: N([O]1[Zn]2([N]([O]3[Zn]45[O]([N](CC)(CC)[Zn]13C(C)C)[Zn]1([O](N(CC)CC)[Zn]([N]([O]24)(CC)CC)([O]5[N]1(CC)CC)C(C)C)C(C)C)(CC)CC)C(C)C)(CC)CC
• Title of publication: Organozinc hydroxylamides: on the bulk-dependent interplay of nuclearity, structure and dynamics.
• Authors of publication: Ullrich, Matthias; Berger, Raphael J. F.; Jana, Surajit; Pape, Tania; Fröhlich, Roland; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 5
• Pages of publication: 1144 - 1157
• a: 11.586 ± 0.001 Å
• b: 17.078 ± 0.001 Å
• c: 25.013 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4949.2 ± 0.6 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No