Information card for entry 1551884

Structure parameters

• Formula: C19 H22 Cl2 N6 O11 Zn
• Calculated formula: C19 H22 Cl2 N6 O11 Zn
• SMILES: [Zn]12([OH2])(OC(=C(N=[N]1c1cccc3c1[n]2ccc3)c1n(cc[nH+]1)C)OCC)[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: 7.838 ± 0.002 Å
• b: 12.963 ± 0.004 Å
• c: 13.201 ± 0.004 Å
• α: 106.371 ± 0.003°
• β: 91.445 ± 0.004°
• γ: 93.803 ± 0.003°
• Cell volume: 1282.7 ± 0.6 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: 0.0614
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1195
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No