Information card for entry 7113674

Structure parameters

• Common name: LH2Zn2Cl4aCH2Cl2
• Formula: C21 H30 Cl6 N4 O Zn2
• Calculated formula: C21 H30 Cl6 N4 O Zn2
• SMILES: [Zn]1(Cl)(Cl)[NH](c2c3oc4c([NH]([Zn]5(Cl)Cl)CC[N]5(C)C)cccc4c3ccc2)CC[N]1(C)C.ClCCl
• Title of publication: New dibenzofuran-bridged bis(amidoamine) and bis(ethylenediamine) ligands and their dinuclear zinc and aluminium complexes
• Authors of publication: Hlavinka, Mark L.; Hagadorn, John R.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 21
• Pages of publication: 2686 - 2687
• a: 13.9254 ± 0.0006 Å
• b: 18.4546 ± 0.0007 Å
• c: 11.2231 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2884.2 ± 0.2 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104880
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No