Information card for entry 4082326

Structure parameters

• Formula: C16 H29 N Zn
• Calculated formula: C16 H29 N Zn
• SMILES: [C]123=[C]4(C(=C(C1(C)[Zn]34(CC)[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: 12.2087 ± 0.0004 Å
• b: 10.6001 ± 0.0005 Å
• c: 12.4866 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1615.93 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No