Information card for entry 4080081

Structure parameters

• Formula: C15 H27 N Zn
• Calculated formula: C15 H27 N Zn
• SMILES: C123[C@]4(C(=C([C@]1(C)[Zn]34(CC)[N](CC2)(C)C)C)C)C.C123[C@@]4(C(=C([C@@]1(C)[Zn]34(CC)[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: 14.1101 ± 0.0006 Å
• b: 20.5775 ± 0.0006 Å
• c: 10.6019 ± 0.0004 Å
• α: 90°
• β: 100.803 ± 0.003°
• γ: 90°
• Cell volume: 3023.7 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No