Information card for entry 1551885

Structure parameters

• Formula: C23 H24 Cl2 N6 O10 Zn
• Calculated formula: C23 H24 Cl2 N6 O10 Zn
• SMILES: [Zn]12(OC(=C(N=[N]1c1cccc3ccc[n]2c13)c1[nH+]cccc1C)OCC)([N]#CC)[N]#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A switching cascade of hydrazone-based rotary switches through coordination-coupled proton relays
• Authors of publication: Debdas Ray; Justin T. Foy; Russell P. Hughes; Ivan Aprahamian
• Journal of publication: Nature Chemistry
• Year of publication: 2012
• Journal volume: 4
• Pages of publication: 757 - 762
• a: 7.7908 ± 0.0008 Å
• b: 12.9951 ± 0.0013 Å
• c: 15.0442 ± 0.0015 Å
• α: 65.683 ± 0.001°
• β: 84.903 ± 0.001°
• γ: 86.633 ± 0.001°
• Cell volume: 1382.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No