Information card for entry 4080082

Structure parameters

• Formula: C23 H37 N Zn
• Calculated formula: C23 H37 N Zn
• SMILES: [C]123=[C]4(C(=C(C1(C)[Zn]34(C1(C(=C(C(=C1C)C)C)C)C)[N](CC2)(C)C)C)C)C
• Title of publication: Zinc Complexes with the N-Donor-Functionalized Cyclopentadienyl Ligand C5Me4(CH2)2NMe2
• Authors of publication: Chilleck, Maren A.; Braun, Thomas; Herrmann, Roy; Braun, Beatrice
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 4
• Pages of publication: 1067
• a: 8.8515 ± 0.0003 Å
• b: 15.1751 ± 0.0004 Å
• c: 16.27 ± 0.0006 Å
• α: 90°
• β: 99.733 ± 0.003°
• γ: 90°
• Cell volume: 2153.97 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1216
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No