Information card for entry 4329935

Structure parameters

• Formula: C14 H30 Cl2 N2 Zn
• Calculated formula: C14 H30 Cl2 N2 Zn
• SMILES: C[N]1(CCCCC)[C@@H]2CCCC[C@H]2[N](C)(C)[Zn]1(Cl)Cl
• 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: 12.3903 ± 0.0018 Å
• b: 12.8524 ± 0.0019 Å
• c: 12.6936 ± 0.0019 Å
• α: 90°
• β: 116.785 ± 0.002°
• γ: 90°
• Cell volume: 1804.5 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No