Information card for entry 1556559

Structure parameters

• Formula: C13 H26 Br2 N4 Zn
• Calculated formula: C13 H26 Br2 N4 Zn
• SMILES: Br[Zn]1([N](=C2N(C)CCN2C)[C@H]2CC[C@](C)(C2(C)C)[NH2]1)Br
• 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: 9.2972 ± 0.0019 Å
• b: 14.257 ± 0.003 Å
• c: 13.2 ± 0.003 Å
• α: 90°
• β: 101.844 ± 0.003°
• γ: 90°
• Cell volume: 1712.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0519
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No