Information card for entry 4082327

Structure parameters

• Formula: C24 H39 N Zn
• Calculated formula: C24 H39 N Zn
• SMILES: [C]123=[C]4(C(=C(C1(C)[Zn]34(C1(C(=C(C(=C1C)C)C)C)C)[N](CCC2)(C)C)C)C)C
• Title of publication: Neutral and Cationic Zinc Complexes with N- and S-Donor-Functionalized Cyclopentadienyl Ligands
• Authors of publication: Chilleck, Maren A.; Braun, Thomas; Braun, Beatrice; Mebs, Stefan
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 551
• a: 8.5872 ± 0.0005 Å
• b: 16.2279 ± 0.001 Å
• c: 16.4692 ± 0.0009 Å
• α: 90°
• β: 101.634 ± 0.004°
• γ: 90°
• Cell volume: 2247.9 ± 0.2 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: 0.1259
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.1761
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No