Information card for entry 2227288

Structure parameters

• Chemical name: μ-Actetato-1:2κ^2^<i>O</i>:<i>O</i>'-tribromido-2κ^3^<i>Br</i>- (5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene- 1κ^4^<i>N</i>)dizinc(II)
• Formula: C18 H35 Br3 N4 O2 Zn2
• Calculated formula: C18 H35 Br3 N4 O2 Zn2
• SMILES: [Zn]123([NH]4C(CC(=[N]1CC[NH]2C(CC(=[N]3CC4)C)(C)C)C)(C)C)[O]=C(O[Zn](Br)(Br)Br)C
• Title of publication: μ-Actetato-1:2κ^2^<i>O</i>:<i>O</i>'-tribromido-2κ^3^<i>Br</i>-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-1,7-diene-1κ^4^<i>N</i>)dizinc(II)
• Authors of publication: Li, HuaFeng; Shi, FeiFei; Rong, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1338
• a: 10.2964 ± 0.0008 Å
• b: 13.6985 ± 0.0013 Å
• c: 18.5235 ± 0.0018 Å
• α: 90°
• β: 92.28 ± 0.001°
• γ: 90°
• Cell volume: 2610.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes