Information card for entry 1556557

Structure parameters

• Formula: C13 H28 Cl2 N4 Zn
• Calculated formula: C13 H28 Cl2 N4 Zn
• SMILES: [Zn]1(Cl)(Cl)[N]([C@@H]2C([C@@](CC2)([NH2]1)C)(C)C)=C(N(C)C)N(C)C
• Title of publication: Reactivity of Zinc Halide Complexes Containing Camphor-Derived Guanidine Ligands with Technical rac-Lactide
• Authors of publication: Metz, A.; Heck, J.; Gohlke, C.M.; Krockert, K.; Louven, Y.; McKeown, P.; Hoffmann, A.; Jones, M.D.; Herres-Pawlis, S.
• Journal of publication: Inorganics
• Year of publication: 2017
• Journal volume: 5
• Pages of publication: 85
• a: 13.4778 ± 0.0017 Å
• b: 15.173 ± 0.002 Å
• c: 17.57 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3593 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No