Information card for entry 4082328

Structure parameters

• Formula: C16 H29 Cl N2 Zn
• Calculated formula: C16 H29 Cl N2 Zn
• SMILES: [Zn]12(Cl)[N](CC[N]1(C)C)(CCC1=C(C(=C(C21C)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: 8.293 ± 0.0004 Å
• b: 14.0331 ± 0.0007 Å
• c: 15.2163 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1770.82 ± 0.15 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: 0.0363
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No