Information card for entry 4082325

Structure parameters

• Formula: C28 H48 N2 Zn
• Calculated formula: C28 H48 N2 Zn
• SMILES: [Zn]12([N](CCCC31[C]2(=C(C(=C3C)C)C)C)(C)C)C1(C(=C(C(=C1C)C)C)C)CCCN(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: 11.2997 ± 0.0004 Å
• b: 14.9484 ± 0.0005 Å
• c: 31.7286 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5359.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0827
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No