Information card for entry 4329936

Structure parameters

• Formula: C12 H26 Br2 N2 Zn
• Calculated formula: C12 H26 Br2 N2 Zn
• SMILES: Br[Zn]1(Br)[N](C)(CC)[C@@H]2CCCC[C@H]2[N]1(C)CC
• Title of publication: Formation of Specific Configurations at Stereogenic Nitrogen Centers upon Their Coordination to Zinc and Mercury
• Authors of publication: Prisca K. Eckert; Viktoria H. Gessner; Michael Knorr; Carsten Strohmann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8516 - 8523
• a: 9.9604 ± 0.0015 Å
• b: 12.2299 ± 0.0018 Å
• c: 13.61 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1657.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No