Information card for entry 4080083

Structure parameters

• Formula: C26 H44 Cl2 N2 Zn2
• Calculated formula: C26 H44 Cl2 N2 Zn2
• SMILES: C1C[c]23c(c(c([c]2(C)[Zn]23([N]1(C)C)[Cl][Zn]13([c]4(c(c(c([c]14C)C)C)C)CC[N]3(C)C)[Cl]2)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: 8.3843 ± 0.0003 Å
• b: 18.003 ± 0.0007 Å
• c: 10.008 ± 0.0003 Å
• α: 90°
• β: 110.116 ± 0.002°
• γ: 90°
• Cell volume: 1418.48 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No