Information card for entry 7101435

Structure parameters

• Formula: C24 H66 N8 O4 Zn5
• Calculated formula: C24 H66 N8 O4 Zn5
• SMILES: [Zn]123([NH]4)[Zn]5(C)[N]([O]2[Zn]2(C)[N]([NH]1[Zn](C)([N]([O]3[Zn](C)([O]5N(CC)CC)[N]4(C)C)(CC)CC)[O]2N(CC)CC)(C)C)(CC)CC
• Title of publication: First mixed hydrazide/hydroxylamide metal aggregates - fine tuning the N:O content of zinc compounds
• Authors of publication: Norbert Mitzel; Raphael J. F. Berger; Roland Frohlich; Surajit Jana
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 38
• a: 18.504 ± 0.001 Å
• b: 19.606 ± 0.001 Å
• c: 45.288 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16430 ± 1.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1335
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No