Information card for entry 4080080

Structure parameters

• Formula: C26 H44 N2 Zn
• Calculated formula: C26 H44 N2 Zn
• SMILES: [C@]12(C(=C(C(=C1C)C)C)CC[N](C)(C)[Zn]12[C@@]2(C(=C(C(=C2C)C)C)CC[N]1(C)C)C)C.[C@@]12(C(=C(C(=C1C)C)C)CC[N](C)(C)[Zn]12[C@]2(C(=C(C(=C2C)C)C)CC[N]1(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: 17.1914 ± 0.0003 Å
• b: 17.213 ± 0.0004 Å
• c: 18.0119 ± 0.0006 Å
• α: 95.219 ± 0.003°
• β: 112.22 ± 0.003°
• γ: 90.259 ± 0.002°
• Cell volume: 4909.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No