Information card for entry 7052264

Structure parameters

• Formula: C20 H20 Cl2 N2 Zn
• Calculated formula: C20 H20 Cl2 N2 Zn
• SMILES: C12C(c3cccc4cccc1c34)=[N](C1CCC1)[Zn]([N]=2C1CCC1)(Cl)Cl
• Title of publication: Stability-inducing strain: application to the synthesis of alkyl-BIAN ligands (alkyl-BIAN = bis(alkyl)acenaphthenequinonediimine)
• Authors of publication: Ragaini, Fabio; Gasperini, Michela; Parma, Paolo; Gallo, Emma; Casati, Nicola; Macchi, Piero
• Journal of publication: New Journal of Chemistry
• Year of publication: 2006
• Journal volume: 30
• Journal issue: 7
• Pages of publication: 1046
• a: 7.2312 ± 0.0008 Å
• b: 16.2043 ± 0.0018 Å
• c: 15.9806 ± 0.0018 Å
• α: 90°
• β: 91.2048 ± 0.0019°
• γ: 90°
• Cell volume: 1872.1 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0816
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No